1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone

C17H15ClN2O — CID 79755506

IUPAC1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C17H15ClN2O/c1-2-20-15-9-4-3-8-14(15)19-17(20)11-16(21)12-6-5-7-13(18)10-12/h3-10H,2,11H2,1H3
InChIKeyDRILNRAOHZCUEZ-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.14
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone

1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone (PubChem CID 79755506) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
PubChem CID79755506
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C17H15ClN2O/c1-2-20-15-9-4-3-8-14(15)19-17(20)11-16(21)12-6-5-7-13(18)10-12/h3-10H,2,11H2,1H3
InChIKeyDRILNRAOHZCUEZ-UHFFFAOYSA-N
XLogP4.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107967692
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 105114477
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone
CID 79753537
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
(3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45232932
1-(2-bromophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755660
1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116597370
2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105114551

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone (CID 79755506) is 1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone is CCn1c(CC(=O)c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The InChIKey is DRILNRAOHZCUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-2-20-15-9-4-3-8-14(15)19-17(20)11-16(21)12-6-5-7-13(18)10-12/h3-10H,2,11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone has a molecular weight of 298.77 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 79755506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).