2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide

C18H19N3O — CID 110772427

IUPAC2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(Cc1ccc2nc[nH]c2c1)NCCCc1ccccc1
InChIInChI=1S/C18H19N3O/c22-18(19-10-4-7-14-5-2-1-3-6-14)12-15-8-9-16-17(11-15)21-13-20-16/h1-3,5-6,8-9,11,13H,4,7,10,12H2,(H,19,22)(H,20,21)
InChIKeyQTZOYRFUOSGUTQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.85
Rot. Bonds6

About 2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide

2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 110772427) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide
PubChem CID110772427
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(Cc1ccc2nc[nH]c2c1)NCCCc1ccccc1
InChIInChI=1S/C18H19N3O/c22-18(19-10-4-7-14-5-2-1-3-6-14)12-15-8-9-16-17(11-15)21-13-20-16/h1-3,5-6,8-9,11,13H,4,7,10,12H2,(H,19,22)(H,20,21)
InChIKeyQTZOYRFUOSGUTQ-UHFFFAOYSA-N
XLogP2.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.85
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

N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
CID 110794693
N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
CID 110791317
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 110791381
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
CID 110785506
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158058
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide
CID 115271345
2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
CID 110772459

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide (CID 110772427) is 2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide is O=C(Cc1ccc2nc[nH]c2c1)NCCCc1ccccc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is QTZOYRFUOSGUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18(19-10-4-7-14-5-2-1-3-6-14)12-15-8-9-16-17(11-15)21-13-20-16/h1-3,5-6,8-9,11,13H,4,7,10,12H2,(H,19,22)(H,20,21).
What are the key properties of 2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide?
2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 110772427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).