2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide

C17H20N6O — CID 95211780

IUPAC2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc([C@H](C)NC(=O)Cn2c(C3CC3)nc3ccccc32)n[nH]1
InChIInChI=1S/C17H20N6O/c1-10(16-19-11(2)21-22-16)18-15(24)9-23-14-6-4-3-5-13(14)20-17(23)12-7-8-12/h3-6,10,12H,7-9H2,1-2H3,(H,18,24)(H,19,21,22)/t10-/m0/s1
InChIKeyYZIPPXSXAGREKO-JTQLQIEISA-N
MW324.39 g/mol
LogP2.22
Rot. Bonds5

About 2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide

2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 95211780) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID95211780
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc([C@H](C)NC(=O)Cn2c(C3CC3)nc3ccccc32)n[nH]1
InChIInChI=1S/C17H20N6O/c1-10(16-19-11(2)21-22-16)18-15(24)9-23-14-6-4-3-5-13(14)20-17(23)12-7-8-12/h3-6,10,12H,7-9H2,1-2H3,(H,18,24)(H,19,21,22)/t10-/m0/s1
InChIKeyYZIPPXSXAGREKO-JTQLQIEISA-N
XLogP2.22
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(3-cyano-2-methylindol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 95203720
2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
CID 17028756
(2S)-2-[[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 97095427
2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 56822779
(3R)-3-(2-chlorophenyl)-3-[[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]amino]propanoic acid
CID 97233557
2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033298
N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 46990812
N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 86970901
N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 17028771
2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 86285985
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (CID 95211780) is 2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is Cc1nc([C@H](C)NC(=O)Cn2c(C3CC3)nc3ccccc32)n[nH]1.
What is the InChIKey of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is YZIPPXSXAGREKO-JTQLQIEISA-N. The full InChI is InChI=1S/C17H20N6O/c1-10(16-19-11(2)21-22-16)18-15(24)9-23-14-6-4-3-5-13(14)20-17(23)12-7-8-12/h3-6,10,12H,7-9H2,1-2H3,(H,18,24)(H,19,21,22)/t10-/m0/s1.
What are the key properties of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 324.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 95211780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).