2-(4-methylphenyl)-1H-imidazole

C10H10N2 — CID 594045

IUPAC2-(4-methylphenyl)-1H-imidazole
SMILESCc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C10H10N2/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-7H,1H3,(H,11,12)
InChIKeyQHNDFWPCDITBSG-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.39
Rot. Bonds1

About 2-(4-methylphenyl)-1H-imidazole

2-(4-methylphenyl)-1H-imidazole (PubChem CID 594045) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1H-imidazole
PubChem CID594045
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name2-(4-methylphenyl)-1H-imidazole
SMILESCc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C10H10N2/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-7H,1H3,(H,11,12)
InChIKeyQHNDFWPCDITBSG-UHFFFAOYSA-N
XLogP2.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Benzylimidazole
CID 77918
1H-Imidazole, 2-methyl-1-(phenylmethyl)-
CID 83699
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
2-Phenylimidazole
CID 69591
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
Immethridine
CID 9989505
4-(4-fluorophenyl)-1H-imidazole
CID 657876
1-Benzyl-3-methylimidazolium Chloride
CID 10560335
Efetozole
CID 208911
FR-79620
CID 10421577
2,4-Diphenylimidazole
CID 296732

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1H-imidazole?
The IUPAC name of 2-(4-methylphenyl)-1H-imidazole (CID 594045) is 2-(4-methylphenyl)-1H-imidazole.
What is the SMILES notation for 2-(4-methylphenyl)-1H-imidazole?
The canonical SMILES for 2-(4-methylphenyl)-1H-imidazole is Cc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1H-imidazole?
The InChIKey is QHNDFWPCDITBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-7H,1H3,(H,11,12).
What are the key properties of 2-(4-methylphenyl)-1H-imidazole?
2-(4-methylphenyl)-1H-imidazole has a molecular weight of 158.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1H-imidazole is sourced from PubChem (CID 594045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).