[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone

C17H11Cl3N2O — CID 2818530

IUPAC[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1nccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl3N2O/c18-13-4-1-11(2-5-13)10-22-8-7-21-17(22)16(23)12-3-6-14(19)15(20)9-12/h1-9H,10H2
InChIKeyDYELYLSONUQZSM-UHFFFAOYSA-N
MW365.65 g/mol
LogP5.12
Rot. Bonds4

About [1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone

[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone (PubChem CID 2818530) has the molecular formula C17H11Cl3N2O and a molecular weight of 365.65 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone
PubChem CID2818530
Molecular FormulaC17H11Cl3N2O
Molecular Weight365.65 g/mol
Exact Mass363.99
IUPAC Name[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1nccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl3N2O/c18-13-4-1-11(2-5-13)10-22-8-7-21-17(22)16(23)12-3-6-14(19)15(20)9-12/h1-9H,10H2
InChIKeyDYELYLSONUQZSM-UHFFFAOYSA-N
XLogP5.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone (CID 2818530) is [1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)c1nccn1Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone?
The InChIKey is DYELYLSONUQZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O/c18-13-4-1-11(2-5-13)10-22-8-7-21-17(22)16(23)12-3-6-14(19)15(20)9-12/h1-9H,10H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone?
[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone has a molecular weight of 365.65 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]imidazol-2-yl]-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 2818530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).