1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole

C14H16N2 — CID 67927146

IUPAC1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole
SMILESCc1ccccc1Cc1nccn1C1CC1
InChIInChI=1S/C14H16N2/c1-11-4-2-3-5-12(11)10-14-15-8-9-16(14)13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3
InChIKeyTWQGNXOAVZUXPP-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.12
Rot. Bonds3

About 1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole

1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole (PubChem CID 67927146) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole
PubChem CID67927146
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole
SMILESCc1ccccc1Cc1nccn1C1CC1
InChIInChI=1S/C14H16N2/c1-11-4-2-3-5-12(11)10-14-15-8-9-16(14)13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3
InChIKeyTWQGNXOAVZUXPP-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-2-[(2-methylphenyl)methyl]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-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole?
The IUPAC name of 1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole (CID 67927146) is 1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole.
What is the SMILES notation for 1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole?
The canonical SMILES for 1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole is Cc1ccccc1Cc1nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole?
The InChIKey is TWQGNXOAVZUXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11-4-2-3-5-12(11)10-14-15-8-9-16(14)13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3.
What are the key properties of 1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole?
1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole has a molecular weight of 212.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole is sourced from PubChem (CID 67927146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).