2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide

C16H20N4O2 — CID 17029875

IUPAC2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
SMILESCC(=O)NC(C)c1nc2ccccc2n1CC(=O)NC1CC1
InChIInChI=1S/C16H20N4O2/c1-10(17-11(2)21)16-19-13-5-3-4-6-14(13)20(16)9-15(22)18-12-7-8-12/h3-6,10,12H,7-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyJNWUKQRXDAZROH-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.51
Rot. Bonds5

About 2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide

2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide (PubChem CID 17029875) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
PubChem CID17029875
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
SMILESCC(=O)NC(C)c1nc2ccccc2n1CC(=O)NC1CC1
InChIInChI=1S/C16H20N4O2/c1-10(17-11(2)21)16-19-13-5-3-4-6-14(13)20(16)9-15(22)18-12-7-8-12/h3-6,10,12H,7-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyJNWUKQRXDAZROH-UHFFFAOYSA-N
XLogP1.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1R)-1-acetamidoethyl]benzimidazol-1-yl]-N-cyclopentylacetamide
CID 39730168
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029056
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-cyclopentyl-2-[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3224649
4-[2-(1-chloroethyl)benzimidazol-1-yl]-N-cyclopropylbutanamide
CID 79377840
2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 43667741
2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16968219
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030116
N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide
CID 39948802
N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide
CID 25486343

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide (CID 17029875) is 2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide is CC(=O)NC(C)c1nc2ccccc2n1CC(=O)NC1CC1.
What is the InChIKey of 2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide?
The InChIKey is JNWUKQRXDAZROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10(17-11(2)21)16-19-13-5-3-4-6-14(13)20(16)9-15(22)18-12-7-8-12/h3-6,10,12H,7-9H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide?
2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide has a molecular weight of 300.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 17029875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).