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

C22H25FN4O — CID 46879463

IUPAC1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(NCc1ccccc1F)n2CC1CCCCC1
InChIInChI=1S/C22H25FN4O/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)
InChIKeyYKTSIZVEIVPRIS-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.47
Rot. Bonds6

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

1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide (PubChem CID 46879463) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide
PubChem CID46879463
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(NCc1ccccc1F)n2CC1CCCCC1
InChIInChI=1S/C22H25FN4O/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)
InChIKeyYKTSIZVEIVPRIS-UHFFFAOYSA-N
XLogP4.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide
CID 46879464
1-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]ethanone
CID 142973004
N'-[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]benzohydrazide
CID 134107936
1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine
CID 43662075
N-[[4-(aminomethyl)phenyl]methyl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]benzimidazole-5-carboxamide
CID 18674231
N-(2-aminoethyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]benzimidazole-5-carboxamide
CID 18674411
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-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide
CID 122192066
3-[(2-fluorophenyl)methylamino]-4-nitrobenzamide
CID 82991671
1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid
CID 167828749

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide (CID 46879463) is 1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(NCc1ccccc1F)n2CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide?
The InChIKey is YKTSIZVEIVPRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/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 1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide?
1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide is sourced from PubChem (CID 46879463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).