3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

C15H21ClN4O2 — CID 119451933

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCl.Cn1c(=O)n(CCC(=O)NC2CCNC2)c2ccccc21
InChIInChI=1S/C15H20N4O2.ClH/c1-18-12-4-2-3-5-13(12)19(15(18)21)9-7-14(20)17-11-6-8-16-10-11;/h2-5,11,16H,6-10H2,1H3,(H,17,20);1H
InChIKeySIGOPEIPYYEIDO-UHFFFAOYSA-N
MW324.81 g/mol
LogP0.63
Rot. Bonds4

About 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119451933) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119451933
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCl.Cn1c(=O)n(CCC(=O)NC2CCNC2)c2ccccc21
InChIInChI=1S/C15H20N4O2.ClH/c1-18-12-4-2-3-5-13(12)19(15(18)21)9-7-14(20)17-11-6-8-16-10-11;/h2-5,11,16H,6-10H2,1H3,(H,17,20);1H
InChIKeySIGOPEIPYYEIDO-UHFFFAOYSA-N
XLogP0.63
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
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N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
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N-(2-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
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N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
CID 119615322
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
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CID 55950899
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119453931
N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119451933) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is Cl.Cn1c(=O)n(CCC(=O)NC2CCNC2)c2ccccc21.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is SIGOPEIPYYEIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.ClH/c1-18-12-4-2-3-5-13(12)19(15(18)21)9-7-14(20)17-11-6-8-16-10-11;/h2-5,11,16H,6-10H2,1H3,(H,17,20);1H.
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119451933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).