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

C32H25Cl5N4 — CID 164993025

IUPAC1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole
SMILESClc1ccccc1C(Cl)(Cl)Cl.Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.c1c[nH]cn1
InChIInChI=1S/C22H17ClN2.C7H4Cl4.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;8-6-4-2-1-3-5(6)7(9,10)11;1-2-5-3-4-1/h1-17H;1-4H;1-3H,(H,4,5)
InChIKeyHDFKXIKUDHYFFG-UHFFFAOYSA-N
MW642.85 g/mol
LogP9.95
Rot. Bonds4

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

1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole (PubChem CID 164993025) has the molecular formula C32H25Cl5N4 and a molecular weight of 642.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole
PubChem CID164993025
Molecular FormulaC32H25Cl5N4
Molecular Weight642.85 g/mol
Exact Mass640.05
IUPAC Name1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole
SMILESClc1ccccc1C(Cl)(Cl)Cl.Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.c1c[nH]cn1
InChIInChI=1S/C22H17ClN2.C7H4Cl4.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;8-6-4-2-1-3-5(6)7(9,10)11;1-2-5-3-4-1/h1-17H;1-4H;1-3H,(H,4,5)
InChIKeyHDFKXIKUDHYFFG-UHFFFAOYSA-N
XLogP9.95
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 59.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Clotrimazole
CID 2812
1-[(3-Chlorophenyl)-phenyl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
CID 16108916
1H-Imidazole,1-[(4-chlorophenyl)phenyl[4-(1-pyrrolidinylmethyl)phenyl]methyl]-
CID 16108917
1-[(4-Chlorophenyl)-bis[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
CID 24745329
1-[[4-[(4-Chlorophenyl)-imidazol-1-yl-phenylmethyl]phenyl]methyl]piperazine
CID 44457445
1-[bis(4-chlorophenyl)(1H-imidazol-2-yl)methyl]-1H-imidazole
CID 44356877
1-[bis(4-chlorophenyl)(1H-imidazol-4-yl)methyl]-1H-imidazole
CID 44356901
2-(2-chlorophenyl)-2-imidazol-1-yl-N-(pyrrolidin-1-ylmethyl)ethanamine
CID 44419114
1-((1,1'-Biphenyl)-4-yl(2-chlorophenyl)methyl)-1H-imidazole
CID 71742
1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole
CID 6481286
1-[(4-Chlorophenyl)diphenylmethyl]-1H-imidazole
CID 13073877
1H-Imidazole, 1-((4-(2-chlorophenyl)-1H-pyrrol-3-yl)phenylmethyl)-
CID 465982

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole?
The IUPAC name of 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole (CID 164993025) is 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole?
The canonical SMILES for 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole is Clc1ccccc1C(Cl)(Cl)Cl.Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.c1c[nH]cn1.
What is the InChIKey of 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole?
The InChIKey is HDFKXIKUDHYFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2.C7H4Cl4.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;8-6-4-2-1-3-5(6)7(9,10)11;1-2-5-3-4-1/h1-17H;1-4H;1-3H,(H,4,5).
What are the key properties of 1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole?
1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole has a molecular weight of 642.85 g/mol, XLogP of 9.95, 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;1-chloro-2-(trichloromethyl)benzene;1H-imidazole is sourced from PubChem (CID 164993025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).