4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one

C10H12N2O2 — CID 117283002

IUPAC4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(CO)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C10H12N2O2/c1-6(5-13)7-3-2-4-8-9(7)12-10(14)11-8/h2-4,6,13H,5H2,1H3,(H2,11,12,14)
InChIKeyBMDONNIPMROKQW-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.95
Rot. Bonds2

About 4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one

4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 117283002) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID117283002
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(CO)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C10H12N2O2/c1-6(5-13)7-3-2-4-8-9(7)12-10(14)11-8/h2-4,6,13H,5H2,1H3,(H2,11,12,14)
InChIKeyBMDONNIPMROKQW-UHFFFAOYSA-N
XLogP0.95
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 84663857
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
4-(aminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745267
2-ethyl-6-(1-hydroxypropan-2-yl)phenol
CID 117278483
(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
CID 137495606
ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate
CID 117339913
propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate
CID 22745349
2-(2-bromo-3-methylphenyl)propan-1-ol
CID 117329757
2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-1-ol
CID 117325661
4-(3-amino-2-hydroxy-4,4-dimethylpentoxy)-1,3-dihydrobenzimidazol-2-one
CID 70301764
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
CID 117289376

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one (CID 117283002) is 4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one is CC(CO)c1cccc2[nH]c(=O)[nH]c12.
What is the InChIKey of 4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BMDONNIPMROKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6(5-13)7-3-2-4-8-9(7)12-10(14)11-8/h2-4,6,13H,5H2,1H3,(H2,11,12,14).
What are the key properties of 4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one?
4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 117283002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).