2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone

C15H16N4O — CID 79753537

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone
SMILESCCn1c(CC(=O)c2cnn(C)c2)nc2ccccc21
InChIInChI=1S/C15H16N4O/c1-3-19-13-7-5-4-6-12(13)17-15(19)8-14(20)11-9-16-18(2)10-11/h4-7,9-10H,3,8H2,1-2H3
InChIKeyVYVFTVVFQUPNQG-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.22
Rot. Bonds4

About 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone

2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 79753537) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID79753537
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone
SMILESCCn1c(CC(=O)c2cnn(C)c2)nc2ccccc21
InChIInChI=1S/C15H16N4O/c1-3-19-13-7-5-4-6-12(13)17-15(19)8-14(20)11-9-16-18(2)10-11/h4-7,9-10H,3,8H2,1-2H3
InChIKeyVYVFTVVFQUPNQG-UHFFFAOYSA-N
XLogP2.22
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755506
2-(1-ethylbenzimidazol-2-yl)-1-pyrazin-2-ylethanone
CID 79753615
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923180
1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 105114477
1-(2-bromophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755660
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanol
CID 79753821
1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107003948
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone (CID 79753537) is 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone is CCn1c(CC(=O)c2cnn(C)c2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is VYVFTVVFQUPNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-19-13-7-5-4-6-12(13)17-15(19)8-14(20)11-9-16-18(2)10-11/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone?
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 268.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 79753537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).