1-[(4-chlorophenyl)methyl]-2-phenylimidazole

C16H13ClN2 — CID 3042995

IUPAC1-[(4-chlorophenyl)methyl]-2-phenylimidazole
SMILESClc1ccc(Cn2ccnc2-c2ccccc2)cc1
InChIInChI=1S/C16H13ClN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyUWOPOTLAMWFICY-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.25
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-2-phenylimidazole

1-[(4-chlorophenyl)methyl]-2-phenylimidazole (PubChem CID 3042995) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-phenylimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-phenylimidazole
PubChem CID3042995
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name1-[(4-chlorophenyl)methyl]-2-phenylimidazole
SMILESClc1ccc(Cn2ccnc2-c2ccccc2)cc1
InChIInChI=1S/C16H13ClN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyUWOPOTLAMWFICY-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-phenylimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-phenylimidazole (CID 3042995) is 1-[(4-chlorophenyl)methyl]-2-phenylimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-phenylimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-phenylimidazole is Clc1ccc(Cn2ccnc2-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-phenylimidazole?
The InChIKey is UWOPOTLAMWFICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h1-11H,12H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-phenylimidazole?
1-[(4-chlorophenyl)methyl]-2-phenylimidazole has a molecular weight of 268.75 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-phenylimidazole is sourced from PubChem (CID 3042995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).