4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide

C18H24N4O2 — CID 46411465

IUPAC4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
SMILESO=C(CCCc1nc2ccccc2[nH]1)NCCC(=O)N1CCCC1
InChIInChI=1S/C18H24N4O2/c23-17(19-11-10-18(24)22-12-3-4-13-22)9-5-8-16-20-14-6-1-2-7-15(14)21-16/h1-2,6-7H,3-5,8-13H2,(H,19,23)(H,20,21)
InChIKeyCOHAEDJQYBAISW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.01
Rot. Bonds7

About 4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide

4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 46411465) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
PubChem CID46411465
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
SMILESO=C(CCCc1nc2ccccc2[nH]1)NCCC(=O)N1CCCC1
InChIInChI=1S/C18H24N4O2/c23-17(19-11-10-18(24)22-12-3-4-13-22)9-5-8-16-20-14-6-1-2-7-15(14)21-16/h1-2,6-7H,3-5,8-13H2,(H,19,23)(H,20,21)
InChIKeyCOHAEDJQYBAISW-UHFFFAOYSA-N
XLogP2.01
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 167903187
4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 46435051
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 30359729
3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide
CID 38335797
3-(1H-benzimidazol-2-yl)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-1-one
CID 55849763
3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 51081190
3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
CID 17446698
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide (CID 46411465) is 4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide is O=C(CCCc1nc2ccccc2[nH]1)NCCC(=O)N1CCCC1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is COHAEDJQYBAISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17(19-11-10-18(24)22-12-3-4-13-22)9-5-8-16-20-14-6-1-2-7-15(14)21-16/h1-2,6-7H,3-5,8-13H2,(H,19,23)(H,20,21).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide?
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 328.42 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 46411465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).