5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one

C13H14N4O2 — CID 116881411

IUPAC5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(O)c1ncc(-c2ccc3[nH]c(=O)[nH]c3c2)[nH]1
InChIInChI=1S/C13H14N4O2/c1-13(2,19)11-14-6-10(15-11)7-3-4-8-9(5-7)17-12(18)16-8/h3-6,19H,1-2H3,(H,14,15)(H2,16,17,18)
InChIKeyGMLGOBHVPDAWDA-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.47
Rot. Bonds2

About 5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one

5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116881411) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116881411
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(O)c1ncc(-c2ccc3[nH]c(=O)[nH]c3c2)[nH]1
InChIInChI=1S/C13H14N4O2/c1-13(2,19)11-14-6-10(15-11)7-3-4-8-9(5-7)17-12(18)16-8/h3-6,19H,1-2H3,(H,14,15)(H2,16,17,18)
InChIKeyGMLGOBHVPDAWDA-UHFFFAOYSA-N
XLogP1.47
TPSA97.56 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol
CID 116881349
5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 116878465
5-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 116879340
2-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-2-ol
CID 116881427
5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 122667677
5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116903807
2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]propan-2-ol
CID 116881432
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878701
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide
CID 116904054
5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116879606
5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 53496350
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)propan-2-ol
CID 116881443

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one (CID 116881411) is 5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one is CC(C)(O)c1ncc(-c2ccc3[nH]c(=O)[nH]c3c2)[nH]1.
What is the InChIKey of 5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GMLGOBHVPDAWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-13(2,19)11-14-6-10(15-11)7-3-4-8-9(5-7)17-12(18)16-8/h3-6,19H,1-2H3,(H,14,15)(H2,16,17,18).
What are the key properties of 5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 258.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116881411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).