N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine

C23H22ClN3O — CID 134084273

IUPACN-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1nc2ccc(Cl)cc2n1Cc1ccccc1
InChIInChI=1S/C23H22ClN3O/c1-28-22-10-6-5-9-18(22)14-25-15-23-26-20-12-11-19(24)13-21(20)27(23)16-17-7-3-2-4-8-17/h2-13,25H,14-16H2,1H3
InChIKeyJBYWOUOAMDACBX-UHFFFAOYSA-N
MW391.90 g/mol
LogP5.04
Rot. Bonds7

About N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine

N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine (PubChem CID 134084273) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
PubChem CID134084273
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC NameN-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1nc2ccc(Cl)cc2n1Cc1ccccc1
InChIInChI=1S/C23H22ClN3O/c1-28-22-10-6-5-9-18(22)14-25-15-23-26-20-12-11-19(24)13-21(20)27(23)16-17-7-3-2-4-8-17/h2-13,25H,14-16H2,1H3
InChIKeyJBYWOUOAMDACBX-UHFFFAOYSA-N
XLogP5.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dibenzyl-6-chlorobenzimidazole
CID 46311010
(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
CID 46311001
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol
CID 4827219
1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
CID 17365854
1-[4-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 134084276
1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 1111671
1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine
CID 46309861
1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
CID 134083782
6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 115471149
1-benzyl-6-chloro-N-[[2-(4-hydroxybutoxy)phenyl]methyl]benzimidazole-2-carboxamide
CID 139771555

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine (CID 134084273) is N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CNCc1nc2ccc(Cl)cc2n1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine?
The InChIKey is JBYWOUOAMDACBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O/c1-28-22-10-6-5-9-18(22)14-25-15-23-26-20-12-11-19(24)13-21(20)27(23)16-17-7-3-2-4-8-17/h2-13,25H,14-16H2,1H3.
What are the key properties of N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine?
N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine has a molecular weight of 391.90 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 134084273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).