1-[(2-methylphenyl)methyl]imidazole

C11H12N2 — CID 13045366

IUPAC1-[(2-methylphenyl)methyl]imidazole
SMILESCc1ccccc1Cn1ccnc1
InChIInChI=1S/C11H12N2/c1-10-4-2-3-5-11(10)8-13-7-6-12-9-13/h2-7,9H,8H2,1H3
InChIKeyQQVXKFHWFITTNU-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.24
Rot. Bonds2

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

1-[(2-methylphenyl)methyl]imidazole (PubChem CID 13045366) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]imidazole
PubChem CID13045366
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1-[(2-methylphenyl)methyl]imidazole
SMILESCc1ccccc1Cn1ccnc1
InChIInChI=1S/C11H12N2/c1-10-4-2-3-5-11(10)8-13-7-6-12-9-13/h2-7,9H,8H2,1H3
InChIKeyQQVXKFHWFITTNU-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]imidazole?
The IUPAC name of 1-[(2-methylphenyl)methyl]imidazole (CID 13045366) is 1-[(2-methylphenyl)methyl]imidazole.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]imidazole?
The canonical SMILES for 1-[(2-methylphenyl)methyl]imidazole is Cc1ccccc1Cn1ccnc1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]imidazole?
The InChIKey is QQVXKFHWFITTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-10-4-2-3-5-11(10)8-13-7-6-12-9-13/h2-7,9H,8H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]imidazole?
1-[(2-methylphenyl)methyl]imidazole has a molecular weight of 172.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]imidazole is sourced from PubChem (CID 13045366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).