2-phenyl-4,5-dihydro-1H-imidazole

C9H10N2 — CID 13639

IUPAC2-phenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)
InChIKeyBKCCAYLNRIRKDJ-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.04
Rot. Bonds1

About 2-phenyl-4,5-dihydro-1H-imidazole

2-phenyl-4,5-dihydro-1H-imidazole (PubChem CID 13639) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-phenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-phenyl-4,5-dihydro-1H-imidazole
PubChem CID13639
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-phenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)
InChIKeyBKCCAYLNRIRKDJ-UHFFFAOYSA-N
XLogP1.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-phenyl-4,5-dihydro-1H-imidazole (CID 13639) is 2-phenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-phenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-phenyl-4,5-dihydro-1H-imidazole is c1ccc(C2=NCCN2)cc1.
What is the InChIKey of 2-phenyl-4,5-dihydro-1H-imidazole?
The InChIKey is BKCCAYLNRIRKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11).
What are the key properties of 2-phenyl-4,5-dihydro-1H-imidazole?
2-phenyl-4,5-dihydro-1H-imidazole has a molecular weight of 146.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 13639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).