(2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone

C17H12Cl2N2O — CID 142342439

IUPAC(2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2Cl)cn1)c1ccccc1Cl
InChIInChI=1S/C17H12Cl2N2O/c18-14-7-3-1-5-12(14)9-21-10-16(20-11-21)17(22)13-6-2-4-8-15(13)19/h1-8,10-11H,9H2
InChIKeyNNLNNMKQDDFIPN-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.47
Rot. Bonds4

About (2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone

(2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone (PubChem CID 142342439) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is (2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone
PubChem CID142342439
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name(2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2Cl)cn1)c1ccccc1Cl
InChIInChI=1S/C17H12Cl2N2O/c18-14-7-3-1-5-12(14)9-21-10-16(20-11-21)17(22)13-6-2-4-8-15(13)19/h1-8,10-11H,9H2
InChIKeyNNLNNMKQDDFIPN-UHFFFAOYSA-N
XLogP4.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone
CID 159619820
methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate
CID 141094208
1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
CID 2988840
methyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-4-carboxylate
CID 56739922
4-chloro-1-[(2-methylphenyl)methyl]imidazole
CID 167287663
(4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone
CID 141433603
1-(1-benzylimidazol-4-yl)propan-1-one
CID 167005039
methyl 4-amino-1-[(2-chlorophenyl)methyl]pyrazole-3-carboxylate
CID 107344600
N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 139452892
4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid
CID 14739396
methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495613
2-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19287025

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone (CID 142342439) is (2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone is O=C(c1cn(Cc2ccccc2Cl)cn1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone?
The InChIKey is NNLNNMKQDDFIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-14-7-3-1-5-12(14)9-21-10-16(20-11-21)17(22)13-6-2-4-8-15(13)19/h1-8,10-11H,9H2.
What are the key properties of (2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone?
(2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone has a molecular weight of 331.20 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone is sourced from PubChem (CID 142342439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).