5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one

C15H15N3O2 — CID 50975788

IUPAC5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-n2c(CCCO)nc3ccccc32)c[nH]1
InChIInChI=1S/C15H15N3O2/c19-9-3-6-14-17-12-4-1-2-5-13(12)18(14)11-7-8-15(20)16-10-11/h1-2,4-5,7-8,10,19H,3,6,9H2,(H,16,20)
InChIKeySDBLXNXNTZOVEK-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.64
Rot. Bonds4

About 5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one

5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one (PubChem CID 50975788) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one
PubChem CID50975788
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-n2c(CCCO)nc3ccccc32)c[nH]1
InChIInChI=1S/C15H15N3O2/c19-9-3-6-14-17-12-4-1-2-5-13(12)18(14)11-7-8-15(20)16-10-11/h1-2,4-5,7-8,10,19H,3,6,9H2,(H,16,20)
InChIKeySDBLXNXNTZOVEK-UHFFFAOYSA-N
XLogP1.64
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol
CID 50950007
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
6-(1-phenylbenzimidazol-2-yl)hexanoic acid
CID 18979139
1-phenyl-2-tridecylbenzimidazole
CID 24821367
methyl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995551
5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 154591707
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2992677
3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 2945571
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one (CID 50975788) is 5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one is O=c1ccc(-n2c(CCCO)nc3ccccc32)c[nH]1.
What is the InChIKey of 5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one?
The InChIKey is SDBLXNXNTZOVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-9-3-6-14-17-12-4-1-2-5-13(12)18(14)11-7-8-15(20)16-10-11/h1-2,4-5,7-8,10,19H,3,6,9H2,(H,16,20).
What are the key properties of 5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one?
5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one has a molecular weight of 269.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 50975788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).