5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole

C13H18N2 — CID 129362256

IUPAC5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole
SMILESC1=C(C2CC2)CCC[C@H]1Cc1cnc[nH]1
InChIInChI=1S/C13H18N2/c1-2-10(7-13-8-14-9-15-13)6-12(3-1)11-4-5-11/h6,8-11H,1-5,7H2,(H,14,15)/t10-/m1/s1
InChIKeyOQNIOJFXPVLEOP-SNVBAGLBSA-N
MW202.30 g/mol
LogP3.09
Rot. Bonds3

About 5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole

5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole (PubChem CID 129362256) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole
PubChem CID129362256
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole
SMILESC1=C(C2CC2)CCC[C@H]1Cc1cnc[nH]1
InChIInChI=1S/C13H18N2/c1-2-10(7-13-8-14-9-15-13)6-12(3-1)11-4-5-11/h6,8-11H,1-5,7H2,(H,14,15)/t10-/m1/s1
InChIKeyOQNIOJFXPVLEOP-SNVBAGLBSA-N
XLogP3.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-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 5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole?
The IUPAC name of 5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole (CID 129362256) is 5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole.
What is the SMILES notation for 5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole?
The canonical SMILES for 5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole is C1=C(C2CC2)CCC[C@H]1Cc1cnc[nH]1.
What is the InChIKey of 5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole?
The InChIKey is OQNIOJFXPVLEOP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-10(7-13-8-14-9-15-13)6-12(3-1)11-4-5-11/h6,8-11H,1-5,7H2,(H,14,15)/t10-/m1/s1.
What are the key properties of 5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole?
5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole has a molecular weight of 202.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole is sourced from PubChem (CID 129362256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).