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

C12H15N3O — CID 17028466

IUPAC2-(benzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C12H15N3O/c1-2-7-13-12(16)8-15-9-14-10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3,(H,13,16)
InChIKeyCKXYURBRHSIRFM-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.56
Rot. Bonds4

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

2-(benzimidazol-1-yl)-N-propylacetamide (PubChem CID 17028466) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-propylacetamide
PubChem CID17028466
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(benzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C12H15N3O/c1-2-7-13-12(16)8-15-9-14-10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3,(H,13,16)
InChIKeyCKXYURBRHSIRFM-UHFFFAOYSA-N
XLogP1.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
(2S)-4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107833952
2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120794
2-(benzimidazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110445560
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
4-[[2-(benzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81064314
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide
CID 121137385
2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65315452
2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 121074724
2-(benzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885288

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-propylacetamide (CID 17028466) is 2-(benzimidazol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-propylacetamide?
The InChIKey is CKXYURBRHSIRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-7-13-12(16)8-15-9-14-10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3,(H,13,16).
What are the key properties of 2-(benzimidazol-1-yl)-N-propylacetamide?
2-(benzimidazol-1-yl)-N-propylacetamide has a molecular weight of 217.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-propylacetamide is sourced from PubChem (CID 17028466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).