5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one

C10H12N2O2 — CID 117283003

IUPAC5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(CO)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H12N2O2/c1-6(5-13)7-2-3-8-9(4-7)12-10(14)11-8/h2-4,6,13H,5H2,1H3,(H2,11,12,14)
InChIKeyAICJEKAJHMBEBU-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.95
Rot. Bonds2

About 5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one

5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 117283003) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID117283003
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(CO)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H12N2O2/c1-6(5-13)7-2-3-8-9(4-7)12-10(14)11-8/h2-4,6,13H,5H2,1H3,(H2,11,12,14)
InChIKeyAICJEKAJHMBEBU-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-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 115420745
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 82118893
5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 116914662
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 103911495
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116830041
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-(1-bromo-2-oxopropyl)-1,3-dihydrobenzimidazol-2-one
CID 116859823
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one (CID 117283003) is 5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one is CC(CO)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is AICJEKAJHMBEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6(5-13)7-2-3-8-9(4-7)12-10(14)11-8/h2-4,6,13H,5H2,1H3,(H2,11,12,14).
What are the key properties of 5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one?
5-(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 5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 117283003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).