2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride

C85H120Cl3N19O7 — CID 158752833

IUPAC2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride
SMILESCc1cc(C)c2c(c1)nc(NCCCN1CCOCC1)n2Cc1nc(C)ccc1O.Cc1cc(C)c2nc(Cl)[nH]c2c1.Cc1cc(C)c2nc(NCCCN3CCOCC3)[nH]c2c1.Cc1cc(C)c2nc(NCCCN3CCOCC3)n(Cc3nc(C)ccc3O)c2c1.Cc1ccc(O)c(CCl)n1.Cl.NCCCN1CCOCC1
InChIInChI=1S/2C23H31N5O2.C16H24N4O.C9H9ClN2.C7H8ClNO.C7H16N2O.ClH/c1-16-13-17(2)22-20(14-16)28(15-19-21(29)6-5-18(3)25-19)23(26-22)24-7-4-8-27-9-11-30-12-10-27;1-16-13-17(2)22-19(14-16)26-23(24-7-4-8-27-9-11-30-12-10-27)28(22)15-20-21(29)6-5-18(3)25-20;1-12-10-13(2)15-14(11-12)18-16(19-15)17-4-3-5-20-6-8-21-9-7-20;1-5-3-6(2)8-7(4-5)11-9(10)12-8;1-5-2-3-7(10)6(4-8)9-5;8-2-1-3-9-4-6-10-7-5-9;/h2*5-6,13-14,29H,4,7-12,15H2,1-3H3,(H,24,26);10-11H,3-9H2,1-2H3,(H2,17,18,19);3-4H,1-2H3,(H,11,12);2-3,10H,4H2,1H3;1-8H2;1H
InChIKeyBSDNWZLBYOLWQL-UHFFFAOYSA-N
MW1626.38 g/mol
LogP13.56
Rot. Bonds23

About 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride

2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride (PubChem CID 158752833) has the molecular formula C85H120Cl3N19O7 and a molecular weight of 1626.38 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride
PubChem CID158752833
Molecular FormulaC85H120Cl3N19O7
Molecular Weight1626.38 g/mol
Exact Mass1623.87
IUPAC Name2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride
SMILESCc1cc(C)c2c(c1)nc(NCCCN1CCOCC1)n2Cc1nc(C)ccc1O.Cc1cc(C)c2nc(Cl)[nH]c2c1.Cc1cc(C)c2nc(NCCCN3CCOCC3)[nH]c2c1.Cc1cc(C)c2nc(NCCCN3CCOCC3)n(Cc3nc(C)ccc3O)c2c1.Cc1ccc(O)c(CCl)n1.Cl.NCCCN1CCOCC1
InChIInChI=1S/2C23H31N5O2.C16H24N4O.C9H9ClN2.C7H8ClNO.C7H16N2O.ClH/c1-16-13-17(2)22-20(14-16)28(15-19-21(29)6-5-18(3)25-19)23(26-22)24-7-4-8-27-9-11-30-12-10-27;1-16-13-17(2)22-19(14-16)26-23(24-7-4-8-27-9-11-30-12-10-27)28(22)15-20-21(29)6-5-18(3)25-20;1-12-10-13(2)15-14(11-12)18-16(19-15)17-4-3-5-20-6-8-21-9-7-20;1-5-3-6(2)8-7(4-5)11-9(10)12-8;1-5-2-3-7(10)6(4-8)9-5;8-2-1-3-9-4-6-10-7-5-9;/h2*5-6,13-14,29H,4,7-12,15H2,1-3H3,(H,24,26);10-11H,3-9H2,1-2H3,(H2,17,18,19);3-4H,1-2H3,(H,11,12);2-3,10H,4H2,1H3;1-8H2;1H
InChIKeyBSDNWZLBYOLWQL-UHFFFAOYSA-N
XLogP13.56
TPSA304.35 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001626.38
LogP ≤ 513.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride with MolForge

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Related Compounds

2-[[4,6-Dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 59833394
2-[[6-[(3,5-Dimethylanilino)methyl]-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 59833422
2-[[4,6-Dimethyl-2-[2-morpholin-4-ylpropyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 69219193
2-[[6-[(3,5-Dimethylanilino)methyl]-2-[[2-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 69219199
2-[[4,6-Dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 69221357
2-[[5,7-Dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 69250261
2-[[5,7-Dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 70333654
2-[[4,6-Dimethyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 70333657
2-[[2-[[1-[2-[2-[4-[[1-[(3-Hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 142757567
2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride
CID 157267996
2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;bis(ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate);hydrochloride
CID 157515694
2-[[6-[[4-(2-hydroxyethylamino)-2,6-dimethylphenyl]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-[[N-(2-hydroxyethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 157864145

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride?
The IUPAC name of 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride (CID 158752833) is 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride?
The canonical SMILES for 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride is Cc1cc(C)c2c(c1)nc(NCCCN1CCOCC1)n2Cc1nc(C)ccc1O.Cc1cc(C)c2nc(Cl)[nH]c2c1.Cc1cc(C)c2nc(NCCCN3CCOCC3)[nH]c2c1.Cc1cc(C)c2nc(NCCCN3CCOCC3)n(Cc3nc(C)ccc3O)c2c1.Cc1ccc(O)c(CCl)n1.Cl.NCCCN1CCOCC1.
What is the InChIKey of 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride?
The InChIKey is BSDNWZLBYOLWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H31N5O2.C16H24N4O.C9H9ClN2.C7H8ClNO.C7H16N2O.ClH/c1-16-13-17(2)22-20(14-16)28(15-19-21(29)6-5-18(3)25-19)23(26-22)24-7-4-8-27-9-11-30-12-10-27;1-16-13-17(2)22-19(14-16)26-23(24-7-4-8-27-9-11-30-12-10-27)28(22)15-20-21(29)6-5-18(3)25-20;1-12-10-13(2)15-14(11-12)18-16(19-15)17-4-3-5-20-6-8-21-9-7-20;1-5-3-6(2)8-7(4-5)11-9(10)12-8;1-5-2-3-7(10)6(4-8)9-5;8-2-1-3-9-4-6-10-7-5-9;/h2*5-6,13-14,29H,4,7-12,15H2,1-3H3,(H,24,26);10-11H,3-9H2,1-2H3,(H2,17,18,19);3-4H,1-2H3,(H,11,12);2-3,10H,4H2,1H3;1-8H2;1H.
What are the key properties of 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride?
2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride has a molecular weight of 1626.38 g/mol, XLogP of 13.56, 23 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;3-morpholin-4-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 158752833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).