1-benzyl-2-methylimidazole

C22H24N4 — CID 158634472

IUPAC1-benzyl-2-methylimidazole
SMILESCc1nccn1Cc1ccccc1.Cc1nccn1Cc1ccccc1
InChIInChI=1S/2C11H12N2/c2*1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2*2-8H,9H2,1H3
InChIKeyHZPHVZYRXUBHNC-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.48
Rot. Bonds4

About 1-benzyl-2-methylimidazole

1-benzyl-2-methylimidazole (PubChem CID 158634472) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-benzyl-2-methylimidazole.

Molecular Properties

Compound Name1-benzyl-2-methylimidazole
PubChem CID158634472
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name1-benzyl-2-methylimidazole
SMILESCc1nccn1Cc1ccccc1.Cc1nccn1Cc1ccccc1
InChIInChI=1S/2C11H12N2/c2*1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2*2-8H,9H2,1H3
InChIKeyHZPHVZYRXUBHNC-UHFFFAOYSA-N
XLogP4.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-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

Related Compounds

[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
1-benzyl-2-chloroimidazole
CID 11629752
ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde
CID 155737371
disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
CID 139198488
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100588442
benzylidene-methoxy-[4-[(2-methylimidazol-1-yl)methyl]phenyl]azanium
CID 123455846
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860
2-methyl-1-[(1-phenylpyrazol-3-yl)methyl]imidazole
CID 62301544
dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole
CID 159505020
3-[4-[(2-methylimidazol-1-yl)methyl]phenyl]prop-2-enoic acid
CID 54974833
N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
CID 105348559
[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 43920542

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methylimidazole?
The IUPAC name of 1-benzyl-2-methylimidazole (CID 158634472) is 1-benzyl-2-methylimidazole.
What is the SMILES notation for 1-benzyl-2-methylimidazole?
The canonical SMILES for 1-benzyl-2-methylimidazole is Cc1nccn1Cc1ccccc1.Cc1nccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methylimidazole?
The InChIKey is HZPHVZYRXUBHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12N2/c2*1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2*2-8H,9H2,1H3.
What are the key properties of 1-benzyl-2-methylimidazole?
1-benzyl-2-methylimidazole has a molecular weight of 344.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methylimidazole is sourced from PubChem (CID 158634472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).