2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine

C24H26N4 — CID 91972355

IUPAC2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine
SMILES[H]/N=c1\n(CCN(C)C)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H26N4/c1-26(2)16-17-27-22-10-6-7-11-23(22)28(24(27)25)18-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-15,25H,16-18H2,1-2H3/b25-24+
InChIKeyVELYQHQBRJRHQT-OCOZRVBESA-N
MW370.50 g/mol
LogP4.20
Rot. Bonds6

About 2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine

2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 91972355) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine
PubChem CID91972355
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine
SMILES[H]/N=c1\n(CCN(C)C)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H26N4/c1-26(2)16-17-27-22-10-6-7-11-23(22)28(24(27)25)18-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-15,25H,16-18H2,1-2H3/b25-24+
InChIKeyVELYQHQBRJRHQT-OCOZRVBESA-N
XLogP4.20
TPSA36.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine
CID 91972354
1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 1112929
1-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3-propylbenzimidazol-2-imine
CID 70881475
2-[3-[(4-tert-butylphenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(4-phenylphenyl)ethanone
CID 4022529
2-(3-benzyl-2-iminobenzimidazol-1-yl)acetic acid
CID 780937
1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide
CID 163329419
1-[3-(4-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]benzimidazol-2-imine
CID 17272675
1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine
CID 155774487
1-benzyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-imine
CID 1050683
3-benzyl-2-iminobenzimidazole-1-carboxylic acid
CID 22930573
N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine
CID 3708981
(2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol
CID 780714

Frequently Asked Questions

What is the IUPAC name of 2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine (CID 91972355) is 2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine is [H]/N=c1\n(CCN(C)C)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is VELYQHQBRJRHQT-OCOZRVBESA-N. The full InChI is InChI=1S/C24H26N4/c1-26(2)16-17-27-22-10-6-7-11-23(22)28(24(27)25)18-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-15,25H,16-18H2,1-2H3/b25-24+.
What are the key properties of 2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine?
2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 370.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 91972355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).