1-[(2-chlorophenyl)-diphenylmethyl]imidazole

C22H17ClN2 — CID 2812

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IUPAC1-[(2-chlorophenyl)-diphenylmethyl]imidazole
SMILESClc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
InChIInChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChIKeyVNFPBHJOKIVQEB-UHFFFAOYSA-N
MW344.85 g/mol
LogP5.38
Rot. Bonds4

About 1-[(2-chlorophenyl)-diphenylmethyl]imidazole

1-[(2-chlorophenyl)-diphenylmethyl]imidazole (PubChem CID 2812) has the molecular formula C22H17ClN2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-diphenylmethyl]imidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-diphenylmethyl]imidazole
PubChem CID2812
Molecular FormulaC22H17ClN2
Molecular Weight344.85 g/mol
Exact Mass344.11
IUPAC Name1-[(2-chlorophenyl)-diphenylmethyl]imidazole
SMILESClc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
InChIInChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChIKeyVNFPBHJOKIVQEB-UHFFFAOYSA-N
XLogP5.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.85
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Bifonazole
CID 2378
Flutrimazole
CID 3401
Eberconazole
CID 72051
1-(4-chlorobenzyl)-1H-imidazole
CID 2779191
Dechloroclotrimazole
CID 618231
1-(biphenyl-4-ylmethyl)-1H-imidazole
CID 12229396
1-(3-Chlorobenzyl)imidazole
CID 12229386
1-(1-Biphenyl-4-yl-2-phenyl-ethyl)-1H-imidazole
CID 13416469
1-(1-Benzyl-2-biphenyl-4-yl-ethyl)-1H-imidazole
CID 510040
1H-Imidazole, 1-(9-phenyl-9H-fluoren-9-yl)-
CID 9926623
1-[3-(4-Chlorophenyl)propyl]imidazole
CID 9991046
1-(1-Biphenyl-4-yl-ethyl)-1H-imidazole
CID 10354661

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-diphenylmethyl]imidazole?
The IUPAC name of 1-[(2-chlorophenyl)-diphenylmethyl]imidazole (CID 2812) is 1-[(2-chlorophenyl)-diphenylmethyl]imidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)-diphenylmethyl]imidazole?
The canonical SMILES for 1-[(2-chlorophenyl)-diphenylmethyl]imidazole is Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.
What is the InChIKey of 1-[(2-chlorophenyl)-diphenylmethyl]imidazole?
The InChIKey is VNFPBHJOKIVQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H.
What are the key properties of 1-[(2-chlorophenyl)-diphenylmethyl]imidazole?
1-[(2-chlorophenyl)-diphenylmethyl]imidazole has a molecular weight of 344.85 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-diphenylmethyl]imidazole is sourced from PubChem (CID 2812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).