5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide

C12H17F2N3O — CID 175397411

IUPAC5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide
SMILESCc1nc(C(N)=O)n(C)c1C1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2N3O/c1-7-9(17(2)11(16-7)10(15)18)8-3-5-12(13,14)6-4-8/h8H,3-6H2,1-2H3,(H2,15,18)
InChIKeyBOTDIKPCBLGUCX-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.12
Rot. Bonds2

About 5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide

5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide (PubChem CID 175397411) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide
PubChem CID175397411
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide
SMILESCc1nc(C(N)=O)n(C)c1C1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2N3O/c1-7-9(17(2)11(16-7)10(15)18)8-3-5-12(13,14)6-4-8/h8H,3-6H2,1-2H3,(H2,15,18)
InChIKeyBOTDIKPCBLGUCX-UHFFFAOYSA-N
XLogP2.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-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

1-Methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
CID 22891093
5-Butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole
CID 174754338
5-(4,4-Difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide
CID 175397406
5-(4,4-Difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide
CID 175765358
5-(3,3-Difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide
CID 175765364
2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116626669
2-[5-Methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide
CID 58592849
4-Cyclohexyl-1,2,5-trimethylimidazole
CID 148536584
2-Tert-butyl-4-cyclohexyl-1,5-dimethylimidazole
CID 169322180
N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide
CID 170405635
1-Ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide;propane
CID 170575128
1-Tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 177263009

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide (CID 175397411) is 5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide is Cc1nc(C(N)=O)n(C)c1C1CCC(F)(F)CC1.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide?
The InChIKey is BOTDIKPCBLGUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-7-9(17(2)11(16-7)10(15)18)8-3-5-12(13,14)6-4-8/h8H,3-6H2,1-2H3,(H2,15,18).
What are the key properties of 5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide?
5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide has a molecular weight of 257.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide is sourced from PubChem (CID 175397411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).