2-(3-methylphenyl)-4,5-dihydro-1H-imidazole

C10H12N2 — CID 3746427

IUPAC2-(3-methylphenyl)-4,5-dihydro-1H-imidazole
SMILESCc1cccc(C2=NCCN2)c1
InChIInChI=1S/C10H12N2/c1-8-3-2-4-9(7-8)10-11-5-6-12-10/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKeyFAZYMPYKTJYGNR-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.34
Rot. Bonds1

About 2-(3-methylphenyl)-4,5-dihydro-1H-imidazole

2-(3-methylphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 3746427) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-4,5-dihydro-1H-imidazole
PubChem CID3746427
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-(3-methylphenyl)-4,5-dihydro-1H-imidazole
SMILESCc1cccc(C2=NCCN2)c1
InChIInChI=1S/C10H12N2/c1-8-3-2-4-9(7-8)10-11-5-6-12-10/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKeyFAZYMPYKTJYGNR-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-methylphenyl)-4,5-dihydro-1H-imidazole (CID 3746427) is 2-(3-methylphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-methylphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-methylphenyl)-4,5-dihydro-1H-imidazole is Cc1cccc(C2=NCCN2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is FAZYMPYKTJYGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-3-2-4-9(7-8)10-11-5-6-12-10/h2-4,7H,5-6H2,1H3,(H,11,12).
What are the key properties of 2-(3-methylphenyl)-4,5-dihydro-1H-imidazole?
2-(3-methylphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 160.22 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 3746427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).