3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide

C18H25N3O — CID 38335797

IUPAC3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCCCC1CCCC1
InChIInChI=1S/C18H25N3O/c22-18(19-13-5-8-14-6-1-2-7-14)12-11-17-20-15-9-3-4-10-16(15)21-17/h3-4,9-10,14H,1-2,5-8,11-13H2,(H,19,22)(H,20,21)
InChIKeyUFJZTYFDMAMJDC-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.58
Rot. Bonds7

About 3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide

3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide (PubChem CID 38335797) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide
PubChem CID38335797
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCCCC1CCCC1
InChIInChI=1S/C18H25N3O/c22-18(19-13-5-8-14-6-1-2-7-14)12-11-17-20-15-9-3-4-10-16(15)21-17/h3-4,9-10,14H,1-2,5-8,11-13H2,(H,19,22)(H,20,21)
InChIKeyUFJZTYFDMAMJDC-UHFFFAOYSA-N
XLogP3.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide (CID 38335797) is 3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide is O=C(CCc1nc2ccccc2[nH]1)NCCCC1CCCC1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide?
The InChIKey is UFJZTYFDMAMJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c22-18(19-13-5-8-14-6-1-2-7-14)12-11-17-20-15-9-3-4-10-16(15)21-17/h3-4,9-10,14H,1-2,5-8,11-13H2,(H,19,22)(H,20,21).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide has a molecular weight of 299.42 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide is sourced from PubChem (CID 38335797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).