1-[(4-chlorophenyl)-diphenylmethyl]imidazole

C22H17ClN2 — CID 13073877

IUPAC1-[(4-chlorophenyl)-diphenylmethyl]imidazole
SMILESClc1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1
InChIInChI=1S/C22H17ClN2/c23-21-13-11-20(12-14-21)22(25-16-15-24-17-25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-17H
InChIKeyBLNLHAFFGFCSRK-UHFFFAOYSA-N
MW344.85 g/mol
LogP5.38
Rot. Bonds4

About 1-[(4-chlorophenyl)-diphenylmethyl]imidazole

1-[(4-chlorophenyl)-diphenylmethyl]imidazole (PubChem CID 13073877) has the molecular formula C22H17ClN2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-diphenylmethyl]imidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-diphenylmethyl]imidazole
PubChem CID13073877
Molecular FormulaC22H17ClN2
Molecular Weight344.85 g/mol
Exact Mass344.11
IUPAC Name1-[(4-chlorophenyl)-diphenylmethyl]imidazole
SMILESClc1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1
InChIInChI=1S/C22H17ClN2/c23-21-13-11-20(12-14-21)22(25-16-15-24-17-25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-17H
InChIKeyBLNLHAFFGFCSRK-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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-diphenylmethyl]imidazole?
The IUPAC name of 1-[(4-chlorophenyl)-diphenylmethyl]imidazole (CID 13073877) is 1-[(4-chlorophenyl)-diphenylmethyl]imidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)-diphenylmethyl]imidazole?
The canonical SMILES for 1-[(4-chlorophenyl)-diphenylmethyl]imidazole is Clc1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-diphenylmethyl]imidazole?
The InChIKey is BLNLHAFFGFCSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2/c23-21-13-11-20(12-14-21)22(25-16-15-24-17-25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-17H.
What are the key properties of 1-[(4-chlorophenyl)-diphenylmethyl]imidazole?
1-[(4-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-[(4-chlorophenyl)-diphenylmethyl]imidazole is sourced from PubChem (CID 13073877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).