3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide

C11H15F2N3O — CID 114226469

IUPAC3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1CCCC(F)(F)C1
InChIInChI=1S/C11H15F2N3O/c12-11(13)3-1-2-8(6-11)10(17)16-7-9-14-4-5-15-9/h4-5,8H,1-3,6-7H2,(H,14,15)(H,16,17)
InChIKeyAKQCVPTZLSQCPV-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.85
Rot. Bonds3

About 3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide

3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 114226469) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID114226469
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1CCCC(F)(F)C1
InChIInChI=1S/C11H15F2N3O/c12-11(13)3-1-2-8(6-11)10(17)16-7-9-14-4-5-15-9/h4-5,8H,1-3,6-7H2,(H,14,15)(H,16,17)
InChIKeyAKQCVPTZLSQCPV-UHFFFAOYSA-N
XLogP1.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-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

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide (CID 114226469) is 3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide is O=C(NCc1ncc[nH]1)C1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is AKQCVPTZLSQCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-11(13)3-1-2-8(6-11)10(17)16-7-9-14-4-5-15-9/h4-5,8H,1-3,6-7H2,(H,14,15)(H,16,17).
What are the key properties of 3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide?
3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 243.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114226469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).