1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one

C12H14N2O — CID 39104518

IUPAC1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
SMILESCCC(=O)c1ccc2nc(CC)[nH]c2c1
InChIInChI=1S/C12H14N2O/c1-3-11(15)8-5-6-9-10(7-8)14-12(4-2)13-9/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyLSPJXEGMWXBULR-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.72
Rot. Bonds3

About 1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one

1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one (PubChem CID 39104518) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
PubChem CID39104518
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
SMILESCCC(=O)c1ccc2nc(CC)[nH]c2c1
InChIInChI=1S/C12H14N2O/c1-3-11(15)8-5-6-9-10(7-8)14-12(4-2)13-9/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyLSPJXEGMWXBULR-UHFFFAOYSA-N
XLogP2.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-3H-benzimidazol-5-yl)-2-ethylsulfanylethanone
CID 82052672
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033
1-(2-ethyl-3H-benzimidazol-5-yl)-3-propan-2-ylsulfanylpropan-1-one
CID 82052648
2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone
CID 82052673
(2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82499869
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone
CID 82052662
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
CID 110765504
2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110765531
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone
CID 82052710

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one?
The IUPAC name of 1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one (CID 39104518) is 1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one?
The canonical SMILES for 1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one is CCC(=O)c1ccc2nc(CC)[nH]c2c1.
What is the InChIKey of 1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one?
The InChIKey is LSPJXEGMWXBULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-11(15)8-5-6-9-10(7-8)14-12(4-2)13-9/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one?
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one has a molecular weight of 202.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one is sourced from PubChem (CID 39104518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).