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

C23H23F3N4O2 — CID 71532356

IUPACN-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide
SMILESCn1cnc2c(C(=O)NC3CCCCC3)cc(NC(=O)c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C23H23F3N4O2/c1-30-13-27-20-17(22(32)28-14-7-3-2-4-8-14)11-15(12-19(20)30)29-21(31)16-9-5-6-10-18(16)23(24,25)26/h5-6,9-14H,2-4,7-8H2,1H3,(H,28,32)(H,29,31)
InChIKeyQRWMNZANUWWGHM-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.91
Rot. Bonds4

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

N-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide (PubChem CID 71532356) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide
PubChem CID71532356
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC NameN-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide
SMILESCn1cnc2c(C(=O)NC3CCCCC3)cc(NC(=O)c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C23H23F3N4O2/c1-30-13-27-20-17(22(32)28-14-7-3-2-4-8-14)11-15(12-19(20)30)29-21(31)16-9-5-6-10-18(16)23(24,25)26/h5-6,9-14H,2-4,7-8H2,1H3,(H,28,32)(H,29,31)
InChIKeyQRWMNZANUWWGHM-UHFFFAOYSA-N
XLogP4.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide (CID 71532356) is N-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide is Cn1cnc2c(C(=O)NC3CCCCC3)cc(NC(=O)c3ccccc3C(F)(F)F)cc21.
What is the InChIKey of N-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide?
The InChIKey is QRWMNZANUWWGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-30-13-27-20-17(22(32)28-14-7-3-2-4-8-14)11-15(12-19(20)30)29-21(31)16-9-5-6-10-18(16)23(24,25)26/h5-6,9-14H,2-4,7-8H2,1H3,(H,28,32)(H,29,31).
What are the key properties of N-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide?
N-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]benzimidazole-4-carboxamide is sourced from PubChem (CID 71532356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).