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

C20H23N3O2 — CID 18145899

IUPAC3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCCCOCc1ccccc1
InChIInChI=1S/C20H23N3O2/c24-20(12-11-19-22-17-9-4-5-10-18(17)23-19)21-13-6-14-25-15-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2,(H,21,24)(H,22,23)
InChIKeyQUSZZDQHLNRYEI-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.22
Rot. Bonds9

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

3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide (PubChem CID 18145899) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide
PubChem CID18145899
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCCCOCc1ccccc1
InChIInChI=1S/C20H23N3O2/c24-20(12-11-19-22-17-9-4-5-10-18(17)23-19)21-13-6-14-25-15-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2,(H,21,24)(H,22,23)
InChIKeyQUSZZDQHLNRYEI-UHFFFAOYSA-N
XLogP3.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide
CID 42123055
2-[2-[3-(1H-benzimidazol-2-yl)propanoylamino]ethoxy]acetic acid
CID 79469685
3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 27163927
3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide
CID 38335797
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate
CID 2065366
3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 155949013
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30358132
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172764
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
CID 29303584
N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75488771
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide (CID 18145899) is 3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide is O=C(CCc1nc2ccccc2[nH]1)NCCCOCc1ccccc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide?
The InChIKey is QUSZZDQHLNRYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(12-11-19-22-17-9-4-5-10-18(17)23-19)21-13-6-14-25-15-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2,(H,21,24)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide is sourced from PubChem (CID 18145899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).