N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide

C19H21N3O2 — CID 78796237

IUPACN-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NCCCO
InChIInChI=1S/C19H21N3O2/c23-14-6-13-20-19(24)12-11-18-21-16-9-4-5-10-17(16)22(18)15-7-2-1-3-8-15/h1-5,7-10,23H,6,11-14H2,(H,20,24)
InChIKeyFWBUAVGYNCNXPR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.46
Rot. Bonds7

About N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide

N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 78796237) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID78796237
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NCCCO
InChIInChI=1S/C19H21N3O2/c23-14-6-13-20-19(24)12-11-18-21-16-9-4-5-10-17(16)22(18)15-7-2-1-3-8-15/h1-5,7-10,23H,6,11-14H2,(H,20,24)
InChIKeyFWBUAVGYNCNXPR-UHFFFAOYSA-N
XLogP2.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 86975702
N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119390648
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78777422
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 60508285
6-(1-phenylbenzimidazol-2-yl)hexanoic acid
CID 18979139
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 52894225
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55674528
3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide
CID 119459811

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide (CID 78796237) is N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide is O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is FWBUAVGYNCNXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-14-6-13-20-19(24)12-11-18-21-16-9-4-5-10-17(16)22(18)15-7-2-1-3-8-15/h1-5,7-10,23H,6,11-14H2,(H,20,24).
What are the key properties of N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 78796237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).