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

C10H12N2O2 — CID 84663857

IUPAC4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(O)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C10H12N2O2/c1-10(2,14)6-4-3-5-7-8(6)12-9(13)11-7/h3-5,14H,1-2H3,(H2,11,12,13)
InChIKeyPFOJCVDNBSHRMB-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.08
Rot. Bonds1

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

4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 84663857) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID84663857
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(O)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C10H12N2O2/c1-10(2,14)6-4-3-5-7-8(6)12-9(13)11-7/h3-5,14H,1-2H3,(H2,11,12,13)
InChIKeyPFOJCVDNBSHRMB-UHFFFAOYSA-N
XLogP1.08
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one (CID 84663857) is 4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one is CC(C)(O)c1cccc2[nH]c(=O)[nH]c12.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PFOJCVDNBSHRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-10(2,14)6-4-3-5-7-8(6)12-9(13)11-7/h3-5,14H,1-2H3,(H2,11,12,13).
What are the key properties of 4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one?
4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 84663857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).