N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide

C19H24F3N3O — CID 58646263

IUPACN-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCC(C)n1c(C(F)(F)F)nc2cc(C(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C19H24F3N3O/c1-12(2)25-16-10-9-13(11-15(16)23-18(25)19(20,21)22)17(26)24(3)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3
InChIKeyXUJCPGKWKAPFDC-UHFFFAOYSA-N
MW367.42 g/mol
LogP5.04
Rot. Bonds3

About N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide

N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide (PubChem CID 58646263) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
PubChem CID58646263
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC NameN-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCC(C)n1c(C(F)(F)F)nc2cc(C(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C19H24F3N3O/c1-12(2)25-16-10-9-13(11-15(16)23-18(25)19(20,21)22)17(26)24(3)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3
InChIKeyXUJCPGKWKAPFDC-UHFFFAOYSA-N
XLogP5.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide (CID 58646263) is N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide is CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N(C)C3CCCCC3)ccc21.
What is the InChIKey of N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The InChIKey is XUJCPGKWKAPFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-12(2)25-16-10-9-13(11-15(16)23-18(25)19(20,21)22)17(26)24(3)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3.
What are the key properties of N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 58646263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).