1H-Imidazole, 2-methyl-1-(phenylmethyl)-

C11H12N2 — CID 83699

IUPAC1-benzyl-2-methylimidazole
SMILESCC1=NC=CN1CC2=CC=CC=C2
InChIInChI=1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyFBHPRUXJQNWTEW-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.00
Rot. Bonds2

About 1H-Imidazole, 2-methyl-1-(phenylmethyl)-

1H-Imidazole, 2-methyl-1-(phenylmethyl)- (PubChem CID 83699) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-benzyl-2-methylimidazole.

Molecular Properties

Compound Name1H-Imidazole, 2-methyl-1-(phenylmethyl)-
PubChem CID83699
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1-benzyl-2-methylimidazole
SMILESCC1=NC=CN1CC2=CC=CC=C2
InChIInChI=1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyFBHPRUXJQNWTEW-UHFFFAOYSA-N
XLogP2.00
TPSA17.80 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity152

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-Imidazole, 2-methyl-1-(phenylmethyl)-?
The IUPAC name of 1H-Imidazole, 2-methyl-1-(phenylmethyl)- (CID 83699) is 1-benzyl-2-methylimidazole.
What is the SMILES notation for 1H-Imidazole, 2-methyl-1-(phenylmethyl)-?
The canonical SMILES for 1H-Imidazole, 2-methyl-1-(phenylmethyl)- is CC1=NC=CN1CC2=CC=CC=C2.
What is the InChIKey of 1H-Imidazole, 2-methyl-1-(phenylmethyl)-?
The InChIKey is FBHPRUXJQNWTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1H-Imidazole, 2-methyl-1-(phenylmethyl)-?
1H-Imidazole, 2-methyl-1-(phenylmethyl)- has a molecular weight of 172.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-Imidazole, 2-methyl-1-(phenylmethyl)- is sourced from PubChem (CID 83699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).