3-(3-hydroxypropyl)-1H-benzimidazol-2-one

C10H12N2O2 — CID 13016877

IUPAC3-(3-hydroxypropyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCO
InChIInChI=1S/C10H12N2O2/c13-7-3-6-12-9-5-2-1-4-8(9)11-10(12)14/h1-2,4-5,13H,3,6-7H2,(H,11,14)
InChIKeyGNCQCMAOLWLYOU-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.71
Rot. Bonds3

About 3-(3-hydroxypropyl)-1H-benzimidazol-2-one

3-(3-hydroxypropyl)-1H-benzimidazol-2-one (PubChem CID 13016877) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-1H-benzimidazol-2-one
PubChem CID13016877
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-(3-hydroxypropyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCO
InChIInChI=1S/C10H12N2O2/c13-7-3-6-12-9-5-2-1-4-8(9)11-10(12)14/h1-2,4-5,13H,3,6-7H2,(H,11,14)
InChIKeyGNCQCMAOLWLYOU-UHFFFAOYSA-N
XLogP0.71
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
1-Ebio
CID 82320
2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 231553
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
1H-Benzimidazole-1-propanoic acid, 2,3-dihydro-2-oxo-
CID 156358
2-(3-(carboxymethyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid
CID 228472
1-Phenylimidazolidin-2-one
CID 255273
1-[4-(4-phenylpiperazin-1-yl)butyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369455
1-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369457
1,3-Dihydro-1-(3-methylbutyl)-2H-benzimidazol-2-one
CID 709667

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(3-hydroxypropyl)-1H-benzimidazol-2-one (CID 13016877) is 3-(3-hydroxypropyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(3-hydroxypropyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-1H-benzimidazol-2-one?
The InChIKey is GNCQCMAOLWLYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-7-3-6-12-9-5-2-1-4-8(9)11-10(12)14/h1-2,4-5,13H,3,6-7H2,(H,11,14).
What are the key properties of 3-(3-hydroxypropyl)-1H-benzimidazol-2-one?
3-(3-hydroxypropyl)-1H-benzimidazol-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 13016877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).