1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one

C16H12Cl2N2O — CID 105089763

IUPAC1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Cn1cnc2ccccc21
InChIInChI=1S/C16H12Cl2N2O/c17-13-6-5-11(8-14(13)18)7-12(21)9-20-10-19-15-3-1-2-4-16(15)20/h1-6,8,10H,7,9H2
InChIKeyXUEQPOHGRWFCCQ-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.15
Rot. Bonds4

About 1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one

1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one (PubChem CID 105089763) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one
PubChem CID105089763
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Cn1cnc2ccccc21
InChIInChI=1S/C16H12Cl2N2O/c17-13-6-5-11(8-14(13)18)7-12(21)9-20-10-19-15-3-1-2-4-16(15)20/h1-6,8,10H,7,9H2
InChIKeyXUEQPOHGRWFCCQ-UHFFFAOYSA-N
XLogP4.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one
CID 105107550
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CID 105085102
[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine
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4-(benzimidazol-1-yl)-3-oxobutanenitrile
CID 162370725
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5-(benzimidazol-1-ylmethyl)-2-chloroaniline
CID 43169019
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole
CID 16729034
1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole
CID 43350320
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
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CID 67707252

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one?
The IUPAC name of 1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one (CID 105089763) is 1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one is O=C(Cc1ccc(Cl)c(Cl)c1)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one?
The InChIKey is XUEQPOHGRWFCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-13-6-5-11(8-14(13)18)7-12(21)9-20-10-19-15-3-1-2-4-16(15)20/h1-6,8,10H,7,9H2.
What are the key properties of 1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one?
1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one has a molecular weight of 319.19 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one is sourced from PubChem (CID 105089763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).