3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol

C110H148Cl3MnN25O11 — CID 159466316

IUPAC3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
SMILESC.C.C.Cc1ccc(CCCO)c(N)c1.ClCCl.Cn1cnc2c(CCl)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4cc(CO)ccc43)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4ccc(C=O)cc43)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4ccc(CO)cc43)cccc21.O=[Mn]=O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1
InChIInChI=1S/2C24H30N6O2.C24H28N6O2.C15H22N4O2.C10H15NO.C9H9ClN2.CH2Cl2.3CH4.Mn.2O/c1-28-17-26-23-19(4-2-5-22(23)28)15-30-21-7-6-18(16-31)14-20(21)27-24(30)25-8-3-9-29-10-12-32-13-11-29;2*1-28-17-26-23-19(4-2-5-21(23)28)15-30-22-14-18(16-31)6-7-20(22)27-24(30)25-8-3-9-29-10-12-32-13-11-29;20-11-12-2-3-13-14(10-12)18-15(17-13)16-4-1-5-19-6-8-21-9-7-19;1-8-4-5-9(3-2-6-12)10(11)7-8;1-12-6-11-9-7(5-10)3-2-4-8(9)12;2-1-3;;;;;;/h2*2,4-7,14,17,31H,3,8-13,15-16H2,1H3,(H,25,27);2,4-7,14,16-17H,3,8-13,15H2,1H3,(H,25,27);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);4-5,7,12H,2-3,6,11H2,1H3;2-4,6H,5H2,1H3;1H2;3*1H4;;;
InChIKeyLMSFICIOVHNORC-UHFFFAOYSA-N
MW2157.85 g/mol
LogP16.21
Rot. Bonds34

About 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol

3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol (PubChem CID 159466316) has the molecular formula C110H148Cl3MnN25O11 and a molecular weight of 2157.85 g/mol. Its IUPAC name is 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
PubChem CID159466316
Molecular FormulaC110H148Cl3MnN25O11
Molecular Weight2157.85 g/mol
Exact Mass2155.02
IUPAC Name3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
SMILESC.C.C.Cc1ccc(CCCO)c(N)c1.ClCCl.Cn1cnc2c(CCl)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4cc(CO)ccc43)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4ccc(C=O)cc43)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4ccc(CO)cc43)cccc21.O=[Mn]=O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1
InChIInChI=1S/2C24H30N6O2.C24H28N6O2.C15H22N4O2.C10H15NO.C9H9ClN2.CH2Cl2.3CH4.Mn.2O/c1-28-17-26-23-19(4-2-5-22(23)28)15-30-21-7-6-18(16-31)14-20(21)27-24(30)25-8-3-9-29-10-12-32-13-11-29;2*1-28-17-26-23-19(4-2-5-21(23)28)15-30-22-14-18(16-31)6-7-20(22)27-24(30)25-8-3-9-29-10-12-32-13-11-29;20-11-12-2-3-13-14(10-12)18-15(17-13)16-4-1-5-19-6-8-21-9-7-19;1-8-4-5-9(3-2-6-12)10(11)7-8;1-12-6-11-9-7(5-10)3-2-4-8(9)12;2-1-3;;;;;;/h2*2,4-7,14,17,31H,3,8-13,15-16H2,1H3,(H,25,27);2,4-7,14,16-17H,3,8-13,15H2,1H3,(H,25,27);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);4-5,7,12H,2-3,6,11H2,1H3;2-4,6H,5H2,1H3;1H2;3*1H4;;;
InChIKeyLMSFICIOVHNORC-UHFFFAOYSA-N
XLogP16.21
TPSA409.57 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002157.85
LogP ≤ 516.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol with MolForge

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Related Compounds

CID 157665393
CID 157665393
3-(2-Amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylimino)-1,3-dihydroindol-5-yl]methanol
CID 157693158
3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
CID 157770876
9,18-Dimethyl-2,18,27-triaza-9,11,20-triazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,9,11(19),12(17),13,15,21(26),22,24-dodecaene-5,15,24-tricarboxylic acid;9,18-dimethyl-9,18,27-triaza-2,11,20-triazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene-6,15,24-tricarboxylic acid;9,27-dimethyl-2,18,27-triaza-9,11,20-triazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,9,11(19),12(17),13,15,21(26),22,24-dodecaene-5,14,24-tricarboxylic acid;18,27-dimethyl-9,11,20-triaza-2,18,27-triazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),2(10),3(8),4,6,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-tricarboxylic acid;methane
CID 158128304
2-(chloromethyl)pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;3-[(3-hydroxy-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;hydrochloride
CID 158383322
CID 158445528
CID 158445528
3-(2-amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
CID 158497968
1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-(chloromethyl)benzimidazol-2-yl]methyl]morpholine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid;[1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methanol;methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate
CID 158512539
CID 158837086
CID 158837086
3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
CID 159133237
1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate
CID 159197752
3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
CID 159355323

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?
The IUPAC name of 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol (CID 159466316) is 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol.
What is the SMILES notation for 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?
The canonical SMILES for 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol is C.C.C.Cc1ccc(CCCO)c(N)c1.ClCCl.Cn1cnc2c(CCl)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4cc(CO)ccc43)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4ccc(C=O)cc43)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4ccc(CO)cc43)cccc21.O=[Mn]=O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1.
What is the InChIKey of 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?
The InChIKey is LMSFICIOVHNORC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H30N6O2.C24H28N6O2.C15H22N4O2.C10H15NO.C9H9ClN2.CH2Cl2.3CH4.Mn.2O/c1-28-17-26-23-19(4-2-5-22(23)28)15-30-21-7-6-18(16-31)14-20(21)27-24(30)25-8-3-9-29-10-12-32-13-11-29;2*1-28-17-26-23-19(4-2-5-21(23)28)15-30-22-14-18(16-31)6-7-20(22)27-24(30)25-8-3-9-29-10-12-32-13-11-29;20-11-12-2-3-13-14(10-12)18-15(17-13)16-4-1-5-19-6-8-21-9-7-19;1-8-4-5-9(3-2-6-12)10(11)7-8;1-12-6-11-9-7(5-10)3-2-4-8(9)12;2-1-3;;;;;;/h2*2,4-7,14,17,31H,3,8-13,15-16H2,1H3,(H,25,27);2,4-7,14,16-17H,3,8-13,15H2,1H3,(H,25,27);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);4-5,7,12H,2-3,6,11H2,1H3;2-4,6H,5H2,1H3;1H2;3*1H4;;;.
What are the key properties of 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?
3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol has a molecular weight of 2157.85 g/mol, XLogP of 16.21, 34 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 159466316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).