2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide

C15H19N3O — CID 17028756

IUPAC2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C2CC2)nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-2-9-16-14(19)10-18-13-6-4-3-5-12(13)17-15(18)11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H,16,19)
InChIKeyZVLCKYZWUIUMLV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.44
Rot. Bonds5

About 2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide

2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide (PubChem CID 17028756) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
PubChem CID17028756
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C2CC2)nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-2-9-16-14(19)10-18-13-6-4-3-5-12(13)17-15(18)11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H,16,19)
InChIKeyZVLCKYZWUIUMLV-UHFFFAOYSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
(2S)-2-[[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 97095427
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445865
2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 56822779
N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 17028771
2-(2-cyclohexylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028725
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 71899076
N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 46990812
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 43566686
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17033010
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 95211780
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268279

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide (CID 17028756) is 2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1c(C2CC2)nc2ccccc21.
What is the InChIKey of 2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide?
The InChIKey is ZVLCKYZWUIUMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-9-16-14(19)10-18-13-6-4-3-5-12(13)17-15(18)11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H,16,19).
What are the key properties of 2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide?
2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide has a molecular weight of 257.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide is sourced from PubChem (CID 17028756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).