1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole

C12H14F2N4 — CID 155913701

IUPAC1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole
SMILESFC1(F)CCC(n2ccnc2-c2ncc[nH]2)CC1
InChIInChI=1S/C12H14F2N4/c13-12(14)3-1-9(2-4-12)18-8-7-17-11(18)10-15-5-6-16-10/h5-9H,1-4H2,(H,15,16)
InChIKeyKFYUVNKHJWYWOK-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.02
Rot. Bonds2

About 1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole

1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole (PubChem CID 155913701) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole
PubChem CID155913701
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole
SMILESFC1(F)CCC(n2ccnc2-c2ncc[nH]2)CC1
InChIInChI=1S/C12H14F2N4/c13-12(14)3-1-9(2-4-12)18-8-7-17-11(18)10-15-5-6-16-10/h5-9H,1-4H2,(H,15,16)
InChIKeyKFYUVNKHJWYWOK-UHFFFAOYSA-N
XLogP3.02
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole 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 1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole (CID 155913701) is 1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole is FC1(F)CCC(n2ccnc2-c2ncc[nH]2)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole?
The InChIKey is KFYUVNKHJWYWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c13-12(14)3-1-9(2-4-12)18-8-7-17-11(18)10-15-5-6-16-10/h5-9H,1-4H2,(H,15,16).
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole?
1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole has a molecular weight of 252.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole is sourced from PubChem (CID 155913701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).