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

C24H25F3N4O2 — CID 71267514

IUPACN-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide
SMILESCCn1cnc2c(C(=O)NC3CCCCC3)cc(NC(=O)c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C24H25F3N4O2/c1-2-31-14-28-21-18(23(33)29-15-8-4-3-5-9-15)12-16(13-20(21)31)30-22(32)17-10-6-7-11-19(17)24(25,26)27/h6-7,10-15H,2-5,8-9H2,1H3,(H,29,33)(H,30,32)
InChIKeyOSOWJRHQGLQPKF-UHFFFAOYSA-N
MW458.48 g/mol
LogP5.39
Rot. Bonds5

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

N-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide (PubChem CID 71267514) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide
PubChem CID71267514
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide
SMILESCCn1cnc2c(C(=O)NC3CCCCC3)cc(NC(=O)c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C24H25F3N4O2/c1-2-31-14-28-21-18(23(33)29-15-8-4-3-5-9-15)12-16(13-20(21)31)30-22(32)17-10-6-7-11-19(17)24(25,26)27/h6-7,10-15H,2-5,8-9H2,1H3,(H,29,33)(H,30,32)
InChIKeyOSOWJRHQGLQPKF-UHFFFAOYSA-N
XLogP5.39
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide (CID 71267514) is N-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide is CCn1cnc2c(C(=O)NC3CCCCC3)cc(NC(=O)c3ccccc3C(F)(F)F)cc21.
What is the InChIKey of N-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide?
The InChIKey is OSOWJRHQGLQPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-2-31-14-28-21-18(23(33)29-15-8-4-3-5-9-15)12-16(13-20(21)31)30-22(32)17-10-6-7-11-19(17)24(25,26)27/h6-7,10-15H,2-5,8-9H2,1H3,(H,29,33)(H,30,32).
What are the key properties of N-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide?
N-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide is sourced from PubChem (CID 71267514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).