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

C22H17ClN2 — CID 14122589

IUPAC2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole
SMILESClc1ccccc1C(c1ccccc1)(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C22H17ClN2/c23-20-14-8-7-13-19(20)22(21-24-15-16-25-21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H,(H,24,25)
InChIKeyHDNFMKOSKDGYQQ-UHFFFAOYSA-N
MW344.85 g/mol
LogP5.45
Rot. Bonds4

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

2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole (PubChem CID 14122589) has the molecular formula C22H17ClN2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole
PubChem CID14122589
Molecular FormulaC22H17ClN2
Molecular Weight344.85 g/mol
Exact Mass344.11
IUPAC Name2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole
SMILESClc1ccccc1C(c1ccccc1)(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C22H17ClN2/c23-20-14-8-7-13-19(20)22(21-24-15-16-25-21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H,(H,24,25)
InChIKeyHDNFMKOSKDGYQQ-UHFFFAOYSA-N
XLogP5.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.85
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole?
The IUPAC name of 2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole (CID 14122589) is 2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole?
The canonical SMILES for 2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole is Clc1ccccc1C(c1ccccc1)(c1ccccc1)c1ncc[nH]1.
What is the InChIKey of 2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole?
The InChIKey is HDNFMKOSKDGYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2/c23-20-14-8-7-13-19(20)22(21-24-15-16-25-21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H,(H,24,25).
What are the key properties of 2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole?
2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole has a molecular weight of 344.85 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole is sourced from PubChem (CID 14122589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).