4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide

C15H23F2N3O2 — CID 156708418

IUPAC4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide
SMILESCOc1nc(C(C)(C)C)cn1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N3O2/c1-14(2,3)11-9-20(13(19-11)22-4)12(21)18-10-5-7-15(16,17)8-6-10/h9-10H,5-8H2,1-4H3,(H,18,21)
InChIKeyUGHSBOXZFOODCT-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.32
Rot. Bonds2

About 4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide

4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide (PubChem CID 156708418) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is 4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide
PubChem CID156708418
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC Name4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide
SMILESCOc1nc(C(C)(C)C)cn1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N3O2/c1-14(2,3)11-9-20(13(19-11)22-4)12(21)18-10-5-7-15(16,17)8-6-10/h9-10H,5-8H2,1-4H3,(H,18,21)
InChIKeyUGHSBOXZFOODCT-UHFFFAOYSA-N
XLogP3.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-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

4-tert-butyl-N-(3,3-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide
CID 156708484
N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide
CID 119104693
N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 121194081
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide
CID 121021883
N-(4,4-difluorocyclohexyl)-2-(2-fluoro-3,4-dihydroxy-5-methoxyphenyl)-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide
CID 162530836
6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide
CID 166390917
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
N-(4,4-difluorocyclohexyl)butanamide
CID 131166223
4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide
CID 156708302
6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide
CID 172615445
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide (CID 156708418) is 4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide is COc1nc(C(C)(C)C)cn1C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of 4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide?
The InChIKey is UGHSBOXZFOODCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2/c1-14(2,3)11-9-20(13(19-11)22-4)12(21)18-10-5-7-15(16,17)8-6-10/h9-10H,5-8H2,1-4H3,(H,18,21).
What are the key properties of 4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide?
4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide is sourced from PubChem (CID 156708418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).