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

C25H21ClN4 — CID 69493869

IUPAC1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole
SMILESClc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.c1c[nH]cn1
InChIInChI=1S/C22H17ClN2.C3H4N2/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;1-2-5-3-4-1/h1-17H;1-3H,(H,4,5)
InChIKeyMUZMTSMXSPACKO-UHFFFAOYSA-N
MW412.92 g/mol
LogP5.79
Rot. Bonds4

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

1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole (PubChem CID 69493869) has the molecular formula C25H21ClN4 and a molecular weight of 412.92 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole
PubChem CID69493869
Molecular FormulaC25H21ClN4
Molecular Weight412.92 g/mol
Exact Mass412.15
IUPAC Name1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole
SMILESClc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.c1c[nH]cn1
InChIInChI=1S/C22H17ClN2.C3H4N2/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;1-2-5-3-4-1/h1-17H;1-3H,(H,4,5)
InChIKeyMUZMTSMXSPACKO-UHFFFAOYSA-N
XLogP5.79
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.92
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole?
The IUPAC name of 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole (CID 69493869) is 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole?
The canonical SMILES for 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole is Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.c1c[nH]cn1.
What is the InChIKey of 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole?
The InChIKey is MUZMTSMXSPACKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2.C3H4N2/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;1-2-5-3-4-1/h1-17H;1-3H,(H,4,5).
What are the key properties of 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole?
1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole has a molecular weight of 412.92 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole is sourced from PubChem (CID 69493869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).