N-(2-ethylbenzimidazol-1-yl)propanamide

C12H15N3O — CID 121011146

IUPACN-(2-ethylbenzimidazol-1-yl)propanamide
SMILESCCC(=O)Nn1c(CC)nc2ccccc21
InChIInChI=1S/C12H15N3O/c1-3-11-13-9-7-5-6-8-10(9)15(11)14-12(16)4-2/h5-8H,3-4H2,1-2H3,(H,14,16)
InChIKeyBZMLWJUMWLKOMV-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.08
Rot. Bonds3

About N-(2-ethylbenzimidazol-1-yl)propanamide

N-(2-ethylbenzimidazol-1-yl)propanamide (PubChem CID 121011146) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(2-ethylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylbenzimidazol-1-yl)propanamide
PubChem CID121011146
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(2-ethylbenzimidazol-1-yl)propanamide
SMILESCCC(=O)Nn1c(CC)nc2ccccc21
InChIInChI=1S/C12H15N3O/c1-3-11-13-9-7-5-6-8-10(9)15(11)14-12(16)4-2/h5-8H,3-4H2,1-2H3,(H,14,16)
InChIKeyBZMLWJUMWLKOMV-UHFFFAOYSA-N
XLogP2.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylbenzimidazol-1-yl)ethanone
CID 45078254
ethane;2-ethyl-1-hydroxybenzimidazole;methanethiol
CID 145270197
1-(2-chloro-4,6-dimethylphenyl)-3-(2-ethylbenzimidazol-1-yl)thiourea
CID 71900889
(2S,3S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 119194002
2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
2-(2-ethylbenzimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115572979
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 70838580
3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide
CID 154814647
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-(2-ethylbenzimidazol-1-yl)propanamide (CID 121011146) is N-(2-ethylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-ethylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-ethylbenzimidazol-1-yl)propanamide is CCC(=O)Nn1c(CC)nc2ccccc21.
What is the InChIKey of N-(2-ethylbenzimidazol-1-yl)propanamide?
The InChIKey is BZMLWJUMWLKOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-11-13-9-7-5-6-8-10(9)15(11)14-12(16)4-2/h5-8H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N-(2-ethylbenzimidazol-1-yl)propanamide?
N-(2-ethylbenzimidazol-1-yl)propanamide has a molecular weight of 217.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 121011146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).