1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol

C23H22BrN3O — CID 71079180

IUPAC1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol
SMILES[H]/N=c1/n(Cc2ccc(C)cc2)c2ccccc2n1CC(O)c1ccc(Br)cc1
InChIInChI=1S/C23H22BrN3O/c1-16-6-8-17(9-7-16)14-26-20-4-2-3-5-21(20)27(23(26)25)15-22(28)18-10-12-19(24)13-11-18/h2-13,22,25,28H,14-15H2,1H3/b25-23-
InChIKeyHIGHNZDDKSKJBC-BZZOAKBMSA-N
MW436.35 g/mol
LogP4.78
Rot. Bonds5

About 1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol

1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol (PubChem CID 71079180) has the molecular formula C23H22BrN3O and a molecular weight of 436.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol
PubChem CID71079180
Molecular FormulaC23H22BrN3O
Molecular Weight436.35 g/mol
Exact Mass435.09
IUPAC Name1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol
SMILES[H]/N=c1/n(Cc2ccc(C)cc2)c2ccccc2n1CC(O)c1ccc(Br)cc1
InChIInChI=1S/C23H22BrN3O/c1-16-6-8-17(9-7-16)14-26-20-4-2-3-5-21(20)27(23(26)25)15-22(28)18-10-12-19(24)13-11-18/h2-13,22,25,28H,14-15H2,1H3/b25-23-
InChIKeyHIGHNZDDKSKJBC-BZZOAKBMSA-N
XLogP4.78
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride
CID 53314647
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol
CID 5218920
(1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol
CID 1111782
1-(4-bromophenyl)-2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)ethanol;hydrochloride
CID 2868289
(1R)-1-(4-chlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol
CID 791772
(1R)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(3,4-dichlorophenyl)ethanol
CID 1121192
2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol
CID 155774489
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
CID 3123763
1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride
CID 2868453
1-[3-[(4-bromophenyl)methyl]-2-iminobenzimidazol-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 46241494
1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine
CID 139536110
(2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol
CID 780714

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol (CID 71079180) is 1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol is [H]/N=c1/n(Cc2ccc(C)cc2)c2ccccc2n1CC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol?
The InChIKey is HIGHNZDDKSKJBC-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H22BrN3O/c1-16-6-8-17(9-7-16)14-26-20-4-2-3-5-21(20)27(23(26)25)15-22(28)18-10-12-19(24)13-11-18/h2-13,22,25,28H,14-15H2,1H3/b25-23-.
What are the key properties of 1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol?
1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol has a molecular weight of 436.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 71079180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).