4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole

C16H13BrN2 — CID 174433798

IUPAC4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole
SMILESBrc1cccc(CC2C=NC(c3ccccc3)=N2)c1
InChIInChI=1S/C16H13BrN2/c17-14-8-4-5-12(9-14)10-15-11-18-16(19-15)13-6-2-1-3-7-13/h1-9,11,15H,10H2
InChIKeyNMRVRDBDDXZZDS-UHFFFAOYSA-N
MW313.20 g/mol
LogP3.89
Rot. Bonds3

About 4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole

4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole (PubChem CID 174433798) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole.

Molecular Properties

Compound Name4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole
PubChem CID174433798
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole
SMILESBrc1cccc(CC2C=NC(c3ccccc3)=N2)c1
InChIInChI=1S/C16H13BrN2/c17-14-8-4-5-12(9-14)10-15-11-18-16(19-15)13-6-2-1-3-7-13/h1-9,11,15H,10H2
InChIKeyNMRVRDBDDXZZDS-UHFFFAOYSA-N
XLogP3.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole?
The IUPAC name of 4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole (CID 174433798) is 4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole.
What is the SMILES notation for 4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole?
The canonical SMILES for 4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole is Brc1cccc(CC2C=NC(c3ccccc3)=N2)c1.
What is the InChIKey of 4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole?
The InChIKey is NMRVRDBDDXZZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c17-14-8-4-5-12(9-14)10-15-11-18-16(19-15)13-6-2-1-3-7-13/h1-9,11,15H,10H2.
What are the key properties of 4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole?
4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole has a molecular weight of 313.20 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methyl]-2-phenyl-4H-imidazole is sourced from PubChem (CID 174433798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).