5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide

C14H21F2N3O — CID 175397406

IUPAC5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide
SMILESCc1nc(C2CCC(F)(F)CC2)c(C(N)=O)n1C(C)C
InChIInChI=1S/C14H21F2N3O/c1-8(2)19-9(3)18-11(12(19)13(17)20)10-4-6-14(15,16)7-5-10/h8,10H,4-7H2,1-3H3,(H2,17,20)
InChIKeyHGKHCTOPZLVQPR-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.16
Rot. Bonds3

About 5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide

5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide (PubChem CID 175397406) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide
PubChem CID175397406
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide
SMILESCc1nc(C2CCC(F)(F)CC2)c(C(N)=O)n1C(C)C
InChIInChI=1S/C14H21F2N3O/c1-8(2)19-9(3)18-11(12(19)13(17)20)10-4-6-14(15,16)7-5-10/h8,10H,4-7H2,1-3H3,(H2,17,20)
InChIKeyHGKHCTOPZLVQPR-UHFFFAOYSA-N
XLogP3.16
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 95786877
[(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 138030966
Cyclopentyl-(3-trifluoromethyl-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazin-1-yl)-methanone
CID 57518459
3-(4,4-difluorocyclohexyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 58054241
3-(4,4-difluorocyclohexyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 76680439
2-Methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane
CID 143827431
7-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 155480634
5-(4,4-Difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide
CID 175397411
1-(2,2,2-Trifluoroacetyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 116984703
2-Methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one
CID 143827432
N-(7-carbamoylspiro[3.5]nonan-2-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 154847892
N-(2-propan-2-ylcyclopentyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 154852741

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide (CID 175397406) is 5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide is Cc1nc(C2CCC(F)(F)CC2)c(C(N)=O)n1C(C)C.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide?
The InChIKey is HGKHCTOPZLVQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-8(2)19-9(3)18-11(12(19)13(17)20)10-4-6-14(15,16)7-5-10/h8,10H,4-7H2,1-3H3,(H2,17,20).
What are the key properties of 5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide?
5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 175397406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).