1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide

C15H22F3N3O — CID 91236758

IUPAC1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESCc1c(C(=O)NCCC(F)(F)F)ncn1CC1CCCCC1
InChIInChI=1S/C15H22F3N3O/c1-11-13(14(22)19-8-7-15(16,17)18)20-10-21(11)9-12-5-3-2-4-6-12/h10,12H,2-9H2,1H3,(H,19,22)
InChIKeyTYEIMEFSCHTCGK-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.45
Rot. Bonds5

About 1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide

1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (PubChem CID 91236758) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
PubChem CID91236758
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESCc1c(C(=O)NCCC(F)(F)F)ncn1CC1CCCCC1
InChIInChI=1S/C15H22F3N3O/c1-11-13(14(22)19-8-7-15(16,17)18)20-10-21(11)9-12-5-3-2-4-6-12/h10,12H,2-9H2,1H3,(H,19,22)
InChIKeyTYEIMEFSCHTCGK-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 58999095
N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 90909354
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
1-(cyclohexylmethyl)-5-methyl-3-(trifluoromethyl)pyrazole
CID 70919591
1-[1-(cyclopentylmethyl)-3,5-dimethylpyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63754233
2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide
CID 162579786
2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide
CID 142919692
1-(cyclopropylmethyl)-5-methylimidazol-4-amine
CID 118309548
N-(2-cyclohexylethyl)-3-hydroxypyridine-2-carboxamide
CID 54861320
2-cyclohexyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119113
3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid
CID 82791377

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (CID 91236758) is 1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is Cc1c(C(=O)NCCC(F)(F)F)ncn1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The InChIKey is TYEIMEFSCHTCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-11-13(14(22)19-8-7-15(16,17)18)20-10-21(11)9-12-5-3-2-4-6-12/h10,12H,2-9H2,1H3,(H,19,22).
What are the key properties of 1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is sourced from PubChem (CID 91236758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).