N-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

C22H21F3N4O2 — CID 71532042

IUPACN-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cc(C(=O)NC2CCCCC2)c2nc[nH]c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)17-9-5-4-8-15(17)20(30)29-14-10-16(19-18(11-14)26-12-27-19)21(31)28-13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,26,27)(H,28,31)(H,29,30)
InChIKeyVEEDELAWJQWODW-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.90
Rot. Bonds4

About N-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

N-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (PubChem CID 71532042) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
PubChem CID71532042
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC NameN-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cc(C(=O)NC2CCCCC2)c2nc[nH]c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)17-9-5-4-8-15(17)20(30)29-14-10-16(19-18(11-14)26-12-27-19)21(31)28-13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,26,27)(H,28,31)(H,29,30)
InChIKeyVEEDELAWJQWODW-UHFFFAOYSA-N
XLogP4.90
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (CID 71532042) is N-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is O=C(Nc1cc(C(=O)NC2CCCCC2)c2nc[nH]c2c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The InChIKey is VEEDELAWJQWODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c23-22(24,25)17-9-5-4-8-15(17)20(30)29-14-10-16(19-18(11-14)26-12-27-19)21(31)28-13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,26,27)(H,28,31)(H,29,30).
What are the key properties of N-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
N-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71532042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).