1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole

C13H20F2N2 — CID 69047137

IUPAC1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole
SMILESCc1nccn1CCC[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C13H20F2N2/c1-11-16-7-9-17(11)8-3-5-12-4-2-6-13(14,15)10-12/h7,9,12H,2-6,8,10H2,1H3/t12-/m0/s1
InChIKeyDHWXQGPEYLUAMT-LBPRGKRZSA-N
MW242.31 g/mol
LogP3.80
Rot. Bonds4

About 1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole

1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole (PubChem CID 69047137) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole
PubChem CID69047137
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole
SMILESCc1nccn1CCC[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C13H20F2N2/c1-11-16-7-9-17(11)8-3-5-12-4-2-6-13(14,15)10-12/h7,9,12H,2-6,8,10H2,1H3/t12-/m0/s1
InChIKeyDHWXQGPEYLUAMT-LBPRGKRZSA-N
XLogP3.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole 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-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole?
The IUPAC name of 1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole (CID 69047137) is 1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole.
What is the SMILES notation for 1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole?
The canonical SMILES for 1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole is Cc1nccn1CCC[C@@H]1CCCC(F)(F)C1.
What is the InChIKey of 1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole?
The InChIKey is DHWXQGPEYLUAMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-11-16-7-9-17(11)8-3-5-12-4-2-6-13(14,15)10-12/h7,9,12H,2-6,8,10H2,1H3/t12-/m0/s1.
What are the key properties of 1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole?
1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole has a molecular weight of 242.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole is sourced from PubChem (CID 69047137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).