5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one

C16H16N2O2 — CID 122656724

IUPAC5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)Oc1ccccc1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16N2O2/c1-10(2)20-15-6-4-3-5-12(15)11-7-8-13-14(9-11)18-16(19)17-13/h3-10H,1-2H3,(H2,17,18,19)
InChIKeyKKTASMOJCZJXBD-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.31
Rot. Bonds3

About 5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one

5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656724) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID122656724
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)Oc1ccccc1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16N2O2/c1-10(2)20-15-6-4-3-5-12(15)11-7-8-13-14(9-11)18-16(19)17-13/h3-10H,1-2H3,(H2,17,18,19)
InChIKeyKKTASMOJCZJXBD-UHFFFAOYSA-N
XLogP3.31
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[6-[2-(3-methylbutoxy)phenyl]-2-oxo-1H-pyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 59363802
3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one
CID 106519316
5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 122656517
N-[(1R)-1-[4-(2-propan-2-yloxyphenyl)phenyl]ethyl]acetamide
CID 126444251
2-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzonitrile
CID 122656537
N-[(1S)-1-[4-(2-propan-2-yloxyphenyl)phenyl]ethyl]acetamide
CID 126444250
5-(2-methoxyphenyl)-2-propan-2-yloxyaniline
CID 164512499
5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 60538576
4-[5-(2-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]aniline
CID 54853323
5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186842
6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione
CID 146342056
2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide
CID 82518702

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one (CID 122656724) is 5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one is CC(C)Oc1ccccc1-c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KKTASMOJCZJXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10(2)20-15-6-4-3-5-12(15)11-7-8-13-14(9-11)18-16(19)17-13/h3-10H,1-2H3,(H2,17,18,19).
What are the key properties of 5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one?
5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 268.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).