1-(benzimidazol-1-yl)-2-(methylamino)ethanone

C10H11N3O — CID 110460341

IUPAC1-(benzimidazol-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)n1cnc2ccccc21
InChIInChI=1S/C10H11N3O/c1-11-6-10(14)13-7-12-8-4-2-3-5-9(8)13/h2-5,7,11H,6H2,1H3
InChIKeyNUHQCIVYWJWCMV-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.90
Rot. Bonds2

About 1-(benzimidazol-1-yl)-2-(methylamino)ethanone

1-(benzimidazol-1-yl)-2-(methylamino)ethanone (PubChem CID 110460341) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-2-(methylamino)ethanone
PubChem CID110460341
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-(benzimidazol-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)n1cnc2ccccc21
InChIInChI=1S/C10H11N3O/c1-11-6-10(14)13-7-12-8-4-2-3-5-9(8)13/h2-5,7,11H,6H2,1H3
InChIKeyNUHQCIVYWJWCMV-UHFFFAOYSA-N
XLogP0.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzimidazol-1-yl)-2-[[2-(benzimidazol-1-yl)-2-oxoethyl]sulfanylmethylsulfanyl]ethanone
CID 3845970
1-(benzimidazol-1-yl)-3-phenylpropan-1-one
CID 4630006
1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone
CID 3253388
2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 4630017
N-phenylbenzimidazole-1-carboxamide
CID 13125705
bromomethyl benzimidazole-1-carboxylate
CID 135347541
N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide
CID 170698971
benzimidazol-1-yl-(4-methylphenyl)methanone
CID 710618
1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one
CID 15943601
1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
CID 84564209
N-butyl-N-methylbenzimidazole-1-carboxamide
CID 170699007
ethyl 3,3-bis(benzimidazol-1-yl)prop-2-enoate
CID 15564125

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(benzimidazol-1-yl)-2-(methylamino)ethanone (CID 110460341) is 1-(benzimidazol-1-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(benzimidazol-1-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(benzimidazol-1-yl)-2-(methylamino)ethanone is CNCC(=O)n1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-2-(methylamino)ethanone?
The InChIKey is NUHQCIVYWJWCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-11-6-10(14)13-7-12-8-4-2-3-5-9(8)13/h2-5,7,11H,6H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)-2-(methylamino)ethanone?
1-(benzimidazol-1-yl)-2-(methylamino)ethanone has a molecular weight of 189.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 110460341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).