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

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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).