3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide

C16H21N5O3 — CID 131914762

IUPAC3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(=O)NCCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1
InChIInChI=1S/C16H21N5O3/c1-10(22)17-5-4-15(23)18-13-8-11-12(20-16(24)19-11)9-14(13)21-6-2-3-7-21/h8-9H,2-7H2,1H3,(H,17,22)(H,18,23)(H2,19,20,24)
InChIKeyBAPYXCLNVZKCOF-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.92
Rot. Bonds5

About 3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide

3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 131914762) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID131914762
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(=O)NCCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1
InChIInChI=1S/C16H21N5O3/c1-10(22)17-5-4-15(23)18-13-8-11-12(20-16(24)19-11)9-14(13)21-6-2-3-7-21/h8-9H,2-7H2,1H3,(H,17,22)(H,18,23)(H2,19,20,24)
InChIKeyBAPYXCLNVZKCOF-UHFFFAOYSA-N
XLogP0.92
TPSA110.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 131914762) is 3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide is CC(=O)NCCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1.
What is the InChIKey of 3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is BAPYXCLNVZKCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10(22)17-5-4-15(23)18-13-8-11-12(20-16(24)19-11)9-14(13)21-6-2-3-7-21/h8-9H,2-7H2,1H3,(H,17,22)(H,18,23)(H2,19,20,24).
What are the key properties of 3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide?
3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 331.38 g/mol, XLogP of 0.92, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 131914762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).