1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one

C15H12ClN3O — CID 105107550

IUPAC1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one
SMILESO=C(Cc1ccncc1Cl)Cn1cnc2ccccc21
InChIInChI=1S/C15H12ClN3O/c16-13-8-17-6-5-11(13)7-12(20)9-19-10-18-14-3-1-2-4-15(14)19/h1-6,8,10H,7,9H2
InChIKeyUEPJTYZFVXASGJ-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.90
Rot. Bonds4

About 1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one

1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one (PubChem CID 105107550) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one
PubChem CID105107550
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one
SMILESO=C(Cc1ccncc1Cl)Cn1cnc2ccccc21
InChIInChI=1S/C15H12ClN3O/c16-13-8-17-6-5-11(13)7-12(20)9-19-10-18-14-3-1-2-4-15(14)19/h1-6,8,10H,7,9H2
InChIKeyUEPJTYZFVXASGJ-UHFFFAOYSA-N
XLogP2.90
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one
CID 105089763
1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one
CID 105085102
4-(benzimidazol-1-yl)-3-oxobutanenitrile
CID 162370725
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
2-(benzimidazol-1-yl)-N'-(1-pyridin-3-ylethenyl)acetohydrazide
CID 5082935
2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 728512
2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105098775
2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 127246094
2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65315452
2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
CID 166930267
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one?
The IUPAC name of 1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one (CID 105107550) is 1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one is O=C(Cc1ccncc1Cl)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one?
The InChIKey is UEPJTYZFVXASGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-13-8-17-6-5-11(13)7-12(20)9-19-10-18-14-3-1-2-4-15(14)19/h1-6,8,10H,7,9H2.
What are the key properties of 1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one?
1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one has a molecular weight of 285.73 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one is sourced from PubChem (CID 105107550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).