2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone

C15H14N4O — CID 79753775

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
SMILESCCn1c(CC(=O)c2ncccn2)nc2ccccc21
InChIInChI=1S/C15H14N4O/c1-2-19-12-7-4-3-6-11(12)18-14(19)10-13(20)15-16-8-5-9-17-15/h3-9H,2,10H2,1H3
InChIKeyIOOWHAWORSWWJH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.27
Rot. Bonds4

About 2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone

2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone (PubChem CID 79753775) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
PubChem CID79753775
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
SMILESCCn1c(CC(=O)c2ncccn2)nc2ccccc21
InChIInChI=1S/C15H14N4O/c1-2-19-12-7-4-3-6-11(12)18-14(19)10-13(20)15-16-8-5-9-17-15/h3-9H,2,10H2,1H3
InChIKeyIOOWHAWORSWWJH-UHFFFAOYSA-N
XLogP2.27
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.27
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
2-(1-ethylbenzimidazol-2-yl)-1-pyrazin-2-ylethanone
CID 79753615
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(2-bromophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755660
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105114551
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone
CID 79753537
1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755506
1-(2,5-dichlorothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107967692
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
CID 116592819
1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
CID 115782747
1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116562664

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone (CID 79753775) is 2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone is CCn1c(CC(=O)c2ncccn2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone?
The InChIKey is IOOWHAWORSWWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-19-12-7-4-3-6-11(12)18-14(19)10-13(20)15-16-8-5-9-17-15/h3-9H,2,10H2,1H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone?
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone has a molecular weight of 266.30 g/mol, XLogP of 2.27, 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-pyrimidin-2-ylethanone is sourced from PubChem (CID 79753775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).