2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride

C16H11Cl3N2O — CID 154076703

IUPAC2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride
SMILESO=C(Cl)N1CC(c2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl3N2O/c17-12-5-1-10(2-6-12)14-9-21(16(19)22)15(20-14)11-3-7-13(18)8-4-11/h1-8,14H,9H2
InChIKeyOIFFGCBUGRKHEX-UHFFFAOYSA-N
MW353.64 g/mol
LogP5.16
Rot. Bonds2

About 2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride

2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride (PubChem CID 154076703) has the molecular formula C16H11Cl3N2O and a molecular weight of 353.64 g/mol. Its IUPAC name is 2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride.

Molecular Properties

Compound Name2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride
PubChem CID154076703
Molecular FormulaC16H11Cl3N2O
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride
SMILESO=C(Cl)N1CC(c2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl3N2O/c17-12-5-1-10(2-6-12)14-9-21(16(19)22)15(20-14)11-3-7-13(18)8-4-11/h1-8,14H,9H2
InChIKeyOIFFGCBUGRKHEX-UHFFFAOYSA-N
XLogP5.16
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride?
The IUPAC name of 2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride (CID 154076703) is 2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride.
What is the SMILES notation for 2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride?
The canonical SMILES for 2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride is O=C(Cl)N1CC(c2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride?
The InChIKey is OIFFGCBUGRKHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2O/c17-12-5-1-10(2-6-12)14-9-21(16(19)22)15(20-14)11-3-7-13(18)8-4-11/h1-8,14H,9H2.
What are the key properties of 2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride?
2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride has a molecular weight of 353.64 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride is sourced from PubChem (CID 154076703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).