(3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone

C15H9Cl2N3O — CID 4570223

IUPAC(3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1nccn1-c1ccccn1
InChIInChI=1S/C15H9Cl2N3O/c16-11-5-4-10(9-12(11)17)14(21)15-19-7-8-20(15)13-3-1-2-6-18-13/h1-9H
InChIKeyNRVYWSRICTWJJC-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.81
Rot. Bonds3

About (3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone

(3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone (PubChem CID 4570223) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone
PubChem CID4570223
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name(3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1nccn1-c1ccccn1
InChIInChI=1S/C15H9Cl2N3O/c16-11-5-4-10(9-12(11)17)14(21)15-19-7-8-20(15)13-3-1-2-6-18-13/h1-9H
InChIKeyNRVYWSRICTWJJC-UHFFFAOYSA-N
XLogP3.81
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-Dichlorophenyl)(1-((4,4-difluoropiperidin-1-yl)methyl)imidazo[1,5-a]pyridin-3-yl)methanone
CID 54582173
(4-Chlorophenyl)(7-methylimidazo(1,2-A)pyridin-3-YL)methanone
CID 3776081
3-(2-benzoyl-1H-imidazol-1-yl)-6-chloropyridazine
CID 6401181
1-[2-(3,4-Dichloro-phenyl)-2-oxo-ethyl]-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-pyridinium
CID 12005514
3-(4-Chloro-phenyl)-1-(2-oxo-2-phenyl-ethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
CID 16681988
3-(4-Chlorobenzoyl)imidazo[1,2-a]pyridine
CID 1484079
(3,4-Dichlorophenyl)-[4-[[(6-imidazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10694580
(2,3-Dichlorophenyl)(1-(morpholinomethyl)imidazo[1,5-a]pyridin-3-yl)methanone
CID 46209990
(2Z)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-3-(pyridin-3-yl)prop-2-en-1-one
CID 6310289
US10807959, Example 164
CID 146370810
1-(4-chlorophenyl)-2-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-imidazol-2-yl}sulfanyl)-1-ethanone
CID 1476513
3-(4-Chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 2791582

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone (CID 4570223) is (3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)c1nccn1-c1ccccn1.
What is the InChIKey of (3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone?
The InChIKey is NRVYWSRICTWJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-11-5-4-10(9-12(11)17)14(21)15-19-7-8-20(15)13-3-1-2-6-18-13/h1-9H.
What are the key properties of (3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone?
(3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone has a molecular weight of 318.16 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone is sourced from PubChem (CID 4570223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).