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

C24H25F3N4O2 — CID 71532197

IUPACN-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESCCc1nc2c(C(=O)NC3CCCCC3)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C24H25F3N4O2/c1-2-20-30-19-13-15(29-22(32)16-10-6-7-11-18(16)24(25,26)27)12-17(21(19)31-20)23(33)28-14-8-4-3-5-9-14/h6-7,10-14H,2-5,8-9H2,1H3,(H,28,33)(H,29,32)(H,30,31)
InChIKeyNRPJVWBSVHRQJL-UHFFFAOYSA-N
MW458.48 g/mol
LogP5.46
Rot. Bonds5

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

N-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (PubChem CID 71532197) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
PubChem CID71532197
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESCCc1nc2c(C(=O)NC3CCCCC3)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C24H25F3N4O2/c1-2-20-30-19-13-15(29-22(32)16-10-6-7-11-18(16)24(25,26)27)12-17(21(19)31-20)23(33)28-14-8-4-3-5-9-14/h6-7,10-14H,2-5,8-9H2,1H3,(H,28,33)(H,29,32)(H,30,31)
InChIKeyNRPJVWBSVHRQJL-UHFFFAOYSA-N
XLogP5.46
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71532252
2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide
CID 90229274
N-(2,4-dimethylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267492
N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267558
N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90229340
2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 175851948
N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267568
N-(3-cyano-2-methylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267520
2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 144531984
N-(3-chloro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229597
N-cyclohexyl-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114168
N-(3-chloro-2-methylphenyl)-2-pyrrolidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90243704

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (CID 71532197) is N-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is CCc1nc2c(C(=O)NC3CCCCC3)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1.
What is the InChIKey of N-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The InChIKey is NRPJVWBSVHRQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-2-20-30-19-13-15(29-22(32)16-10-6-7-11-18(16)24(25,26)27)12-17(21(19)31-20)23(33)28-14-8-4-3-5-9-14/h6-7,10-14H,2-5,8-9H2,1H3,(H,28,33)(H,29,32)(H,30,31).
What are the key properties of N-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
N-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 5.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71532197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).