1,3-bis(hydroxymethyl)benzimidazol-2-one

C9H10N2O3 — CID 3040443

IUPAC1,3-bis(hydroxymethyl)benzimidazol-2-one
SMILESO=c1n(CO)c2ccccc2n1CO
InChIInChI=1S/C9H10N2O3/c12-5-10-7-3-1-2-4-8(7)11(6-13)9(10)14/h1-4,12-13H,5-6H2
InChIKeyCNGROZGOFRTGFU-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.30
Rot. Bonds2

About 1,3-bis(hydroxymethyl)benzimidazol-2-one

1,3-bis(hydroxymethyl)benzimidazol-2-one (PubChem CID 3040443) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1,3-bis(hydroxymethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-bis(hydroxymethyl)benzimidazol-2-one
PubChem CID3040443
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name1,3-bis(hydroxymethyl)benzimidazol-2-one
SMILESO=c1n(CO)c2ccccc2n1CO
InChIInChI=1S/C9H10N2O3/c12-5-10-7-3-1-2-4-8(7)11(6-13)9(10)14/h1-4,12-13H,5-6H2
InChIKeyCNGROZGOFRTGFU-UHFFFAOYSA-N
XLogP-0.30
TPSA67.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Hydroxy benzimidazole
CID 11985
1-Ebio
CID 82320
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 779710
1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 231553
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-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1653580
1,3-Dihydro-1-(1-methylvinyl)-2H-benzimidazol-2-one
CID 100278
1,3-Dihydro-1-(3-methylbutyl)-2H-benzimidazol-2-one
CID 709667
2,3-Dihydro-3-methyl-2-oxo-1H-benzimidazole-1-propanoic acid
CID 661355

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(hydroxymethyl)benzimidazol-2-one?
The IUPAC name of 1,3-bis(hydroxymethyl)benzimidazol-2-one (CID 3040443) is 1,3-bis(hydroxymethyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-bis(hydroxymethyl)benzimidazol-2-one?
The canonical SMILES for 1,3-bis(hydroxymethyl)benzimidazol-2-one is O=c1n(CO)c2ccccc2n1CO.
What is the InChIKey of 1,3-bis(hydroxymethyl)benzimidazol-2-one?
The InChIKey is CNGROZGOFRTGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-5-10-7-3-1-2-4-8(7)11(6-13)9(10)14/h1-4,12-13H,5-6H2.
What are the key properties of 1,3-bis(hydroxymethyl)benzimidazol-2-one?
1,3-bis(hydroxymethyl)benzimidazol-2-one has a molecular weight of 194.19 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(hydroxymethyl)benzimidazol-2-one is sourced from PubChem (CID 3040443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).