2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine

C64H77N21O — CID 157492640

IUPAC2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
SMILESCn1ccnc1CN(Cc1ccccn1)Cc1nccn1C.Cn1ccnc1CNCCNCc1nccn1C.OCCN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C18H19N5O.C18H18N4.C16H20N6.C12H20N6/c24-10-9-23(11-17-19-13-5-1-2-6-14(13)20-17)12-18-21-15-7-3-4-8-16(15)22-18;1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-20-9-7-18-15(20)12-22(11-14-5-3-4-6-17-14)13-16-19-8-10-21(16)2;1-17-7-5-15-11(17)9-13-3-4-14-10-12-16-6-8-18(12)2/h1-8,24H,9-12H2,(H,19,20)(H,21,22);1-12H,13-15H2;3-10H,11-13H2,1-2H3;5-8,13-14H,3-4,9-10H2,1-2H3
InChIKeyBXLQQTUQGNIXJA-UHFFFAOYSA-N
MW1156.47 g/mol
LogP7.29
Rot. Bonds25

About 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine

2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine (PubChem CID 157492640) has the molecular formula C64H77N21O and a molecular weight of 1156.47 g/mol. Its IUPAC name is 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
PubChem CID157492640
Molecular FormulaC64H77N21O
Molecular Weight1156.47 g/mol
Exact Mass1155.66
IUPAC Name2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
SMILESCn1ccnc1CN(Cc1ccccn1)Cc1nccn1C.Cn1ccnc1CNCCNCc1nccn1C.OCCN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C18H19N5O.C18H18N4.C16H20N6.C12H20N6/c24-10-9-23(11-17-19-13-5-1-2-6-14(13)20-17)12-18-21-15-7-3-4-8-16(15)22-18;1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-20-9-7-18-15(20)12-22(11-14-5-3-4-6-17-14)13-16-19-8-10-21(16)2;1-17-7-5-15-11(17)9-13-3-4-14-10-12-16-6-8-18(12)2/h1-8,24H,9-12H2,(H,19,20)(H,21,22);1-12H,13-15H2;3-10H,11-13H2,1-2H3;5-8,13-14H,3-4,9-10H2,1-2H3
InChIKeyBXLQQTUQGNIXJA-UHFFFAOYSA-N
XLogP7.29
TPSA234.21 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001156.47
LogP ≤ 57.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine with MolForge

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Related Compounds

N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpurin-6-amine
CID 145966880
N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-pyridin-3-ylpurin-6-amine
CID 145965873
1,3-Bis(bis((1H-benzo[d]imidazol-2-yl)methyl)amino)propan-2-ol
CID 353652
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; pyrazine; 2-(2-pyridyl)pyridine; ruthenium(2+); ruthenium(3+); trihexafluorophosphate
CID 11980900
2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole;2-[4-(1H-benzimidazol-2-yl)-1,1,2,2,3,3,4,4-octafluorobutyl]-1H-benzimidazole;2-[4-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole;2-(3H-indol-2-yl)-1H-benzimidazole;2-[2-[4-(1-propylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]ethanamine;2-[2-[4-(1-propylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]ethanol;2-(3H-pyrrol-2-yl)-1H-imidazole
CID 158887771
2,4-difluoro-5-methyl-1H-imidazole;ethane;pentakis(2-methyl-1H-benzimidazole);2-methyl-1H-imidazole;pentakis(5-methyl-1H-imidazole);4,5,6,7-tetrafluoro-2-methyl-1H-benzimidazole;heptakis(1,1,1-trifluoroethane)
CID 160159267
2-[[(3R)-4,4-difluoro-1-[6-fluoro-1-[(5-isocyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidin-3-yl]amino]ethanol;(3R)-4,4-difluoro-1-[6-fluoro-1-[(5-isocyano-2-pyridinyl)methyl]benzimidazol-2-yl]-N-propylpiperidin-3-amine;methane;tetraethylazanium;hydrofluoride
CID 161199074
7-benzyl-6-methylidene-2-propoxy-5H-pyrrolo[2,3-d]pyrimidin-4-amine;1-benzyl-2-methylidene-6-(trifluoromethyl)-3H-pyrrolo[3,2-c]pyridin-4-amine;2-N-butyl-6-methylidene-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;3,13-dimethyl-1,9,12-triaza-4-azoniatetracyclo[6.5.2.04,15.011,14]pentadeca-4,6,8(15),9,11(14),12-hexaen-10-amine;2-N-pentyl-7H-purine-2,6-diamine
CID 163856394
N-(1H-benzimidazol-2-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-9-propan-2-ylpurin-6-amine
CID 117080879
N-(1H-benzimidazol-2-ylmethyl)-9-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
CID 117086304
N-(1H-benzimidazol-2-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-9-phenylpurin-6-amine
CID 117088155
N-(1H-benzimidazol-2-ylmethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-amine
CID 117091536

Frequently Asked Questions

What is the IUPAC name of 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine (CID 157492640) is 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine is Cn1ccnc1CN(Cc1ccccn1)Cc1nccn1C.Cn1ccnc1CNCCNCc1nccn1C.OCCN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine?
The InChIKey is BXLQQTUQGNIXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O.C18H18N4.C16H20N6.C12H20N6/c24-10-9-23(11-17-19-13-5-1-2-6-14(13)20-17)12-18-21-15-7-3-4-8-16(15)22-18;1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-20-9-7-18-15(20)12-22(11-14-5-3-4-6-17-14)13-16-19-8-10-21(16)2;1-17-7-5-15-11(17)9-13-3-4-14-10-12-16-6-8-18(12)2/h1-8,24H,9-12H2,(H,19,20)(H,21,22);1-12H,13-15H2;3-10H,11-13H2,1-2H3;5-8,13-14H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine?
2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine has a molecular weight of 1156.47 g/mol, XLogP of 7.29, 25 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanol;N,N'-bis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 157492640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).