1-(3-methylphenyl)imidazole

C10H10N2 — CID 520197

IUPAC1-(3-methylphenyl)imidazole
SMILESCc1cccc(-n2ccnc2)c1
InChIInChI=1S/C10H10N2/c1-9-3-2-4-10(7-9)12-6-5-11-8-12/h2-8H,1H3
InChIKeyCONMFQGRYDVJRS-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.18
Rot. Bonds1

About 1-(3-methylphenyl)imidazole

1-(3-methylphenyl)imidazole (PubChem CID 520197) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(3-methylphenyl)imidazole.

Molecular Properties

Compound Name1-(3-methylphenyl)imidazole
PubChem CID520197
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1-(3-methylphenyl)imidazole
SMILESCc1cccc(-n2ccnc2)c1
InChIInChI=1S/C10H10N2/c1-9-3-2-4-10(7-9)12-6-5-11-8-12/h2-8H,1H3
InChIKeyCONMFQGRYDVJRS-UHFFFAOYSA-N
XLogP2.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)imidazole?
The IUPAC name of 1-(3-methylphenyl)imidazole (CID 520197) is 1-(3-methylphenyl)imidazole.
What is the SMILES notation for 1-(3-methylphenyl)imidazole?
The canonical SMILES for 1-(3-methylphenyl)imidazole is Cc1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-(3-methylphenyl)imidazole?
The InChIKey is CONMFQGRYDVJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-9-3-2-4-10(7-9)12-6-5-11-8-12/h2-8H,1H3.
What are the key properties of 1-(3-methylphenyl)imidazole?
1-(3-methylphenyl)imidazole has a molecular weight of 158.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)imidazole is sourced from PubChem (CID 520197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).