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

C19H21N3O2 — CID 42123055

IUPAC3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCCCOc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-19(20-13-6-14-24-15-7-2-1-3-8-15)12-11-18-21-16-9-4-5-10-17(16)22-18/h1-5,7-10H,6,11-14H2,(H,20,23)(H,21,22)
InChIKeyCNJACOZVDTYVIE-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.08
Rot. Bonds8

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

3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide (PubChem CID 42123055) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide
PubChem CID42123055
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCCCOc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-19(20-13-6-14-24-15-7-2-1-3-8-15)12-11-18-21-16-9-4-5-10-17(16)22-18/h1-5,7-10H,6,11-14H2,(H,20,23)(H,21,22)
InChIKeyCNJACOZVDTYVIE-UHFFFAOYSA-N
XLogP3.08
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.08
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-phenylmethoxypropyl)propanamide
CID 18145899
3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 27163927
2-[2-[3-(1H-benzimidazol-2-yl)propanoylamino]ethoxy]acetic acid
CID 79469685
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide
CID 38335797
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 155949013
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172764
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
CID 29303584
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 3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide (CID 42123055) is 3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide is O=C(CCc1nc2ccccc2[nH]1)NCCCOc1ccccc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide?
The InChIKey is CNJACOZVDTYVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(20-13-6-14-24-15-7-2-1-3-8-15)12-11-18-21-16-9-4-5-10-17(16)22-18/h1-5,7-10H,6,11-14H2,(H,20,23)(H,21,22).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 3.08, 8 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-phenoxypropyl)propanamide is sourced from PubChem (CID 42123055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).