2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide

C22H25BrN4O — CID 46879464

IUPAC2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(NCc1ccccc1Br)n2CC1CCCCC1
InChIInChI=1S/C22H25BrN4O/c23-18-9-5-4-8-17(18)13-25-22-26-19-12-16(21(24)28)10-11-20(19)27(22)14-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13-14H2,(H2,24,28)(H,25,26)
InChIKeyUBIQOOYKDVAQFG-UHFFFAOYSA-N
MW441.37 g/mol
LogP5.09
Rot. Bonds6

About 2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide

2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide (PubChem CID 46879464) has the molecular formula C22H25BrN4O and a molecular weight of 441.37 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide
PubChem CID46879464
Molecular FormulaC22H25BrN4O
Molecular Weight441.37 g/mol
Exact Mass440.12
IUPAC Name2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(NCc1ccccc1Br)n2CC1CCCCC1
InChIInChI=1S/C22H25BrN4O/c23-18-9-5-4-8-17(18)13-25-22-26-19-12-16(21(24)28)10-11-20(19)27(22)14-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13-14H2,(H2,24,28)(H,25,26)
InChIKeyUBIQOOYKDVAQFG-UHFFFAOYSA-N
XLogP5.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.37
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide
CID 46879463
1-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]ethanone
CID 142973004
(2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
CID 87749531
(2S)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
CID 87751286
2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide
CID 142973031
[1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598851
1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 86714429
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea
CID 108902673
1-cyclohexylbenzotriazole-5-carboxamide
CID 53015649
4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 137378369
N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen
CID 143022132

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide (CID 46879464) is 2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Br)n2CC1CCCCC1.
What is the InChIKey of 2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide?
The InChIKey is UBIQOOYKDVAQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4O/c23-18-9-5-4-8-17(18)13-25-22-26-19-12-16(21(24)28)10-11-20(19)27(22)14-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13-14H2,(H2,24,28)(H,25,26).
What are the key properties of 2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide?
2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide has a molecular weight of 441.37 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 46879464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).