1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone

C15H11Cl2N3O — CID 79783281

IUPAC1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCn1c(CC(=O)c2ncc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C15H11Cl2N3O/c1-20-12-5-3-2-4-11(12)19-14(20)7-13(21)15-10(17)6-9(16)8-18-15/h2-6,8H,7H2,1H3
InChIKeyTXYCADGSXVZGMX-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.70
Rot. Bonds3

About 1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone

1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone (PubChem CID 79783281) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone
PubChem CID79783281
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCn1c(CC(=O)c2ncc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C15H11Cl2N3O/c1-20-12-5-3-2-4-11(12)19-14(20)7-13(21)15-10(17)6-9(16)8-18-15/h2-6,8H,7H2,1H3
InChIKeyTXYCADGSXVZGMX-UHFFFAOYSA-N
XLogP3.70
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116597370
5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79750643
2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone
CID 82896028
1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567
2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79754091
1-(3,5-dichloro-2-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 79786943
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115782583
1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79755499
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone
CID 146938095
4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 3603733

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone (CID 79783281) is 1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone is Cn1c(CC(=O)c2ncc(Cl)cc2Cl)nc2ccccc21.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The InChIKey is TXYCADGSXVZGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c1-20-12-5-3-2-4-11(12)19-14(20)7-13(21)15-10(17)6-9(16)8-18-15/h2-6,8H,7H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone has a molecular weight of 320.18 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 79783281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).