5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one

C14H11N3O2 — CID 89060824

IUPAC5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(N=O)cc1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H11N3O2/c1-8-2-4-10(17-19)7-11(8)9-3-5-12-13(6-9)16-14(18)15-12/h2-7H,1H3,(H2,15,16,18)
InChIKeyVVORVDGOFBAMPN-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.23
Rot. Bonds2

About 5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one

5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 89060824) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID89060824
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(N=O)cc1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H11N3O2/c1-8-2-4-10(17-19)7-11(8)9-3-5-12-13(6-9)16-14(18)15-12/h2-7H,1H3,(H2,15,16,18)
InChIKeyVVORVDGOFBAMPN-UHFFFAOYSA-N
XLogP3.23
TPSA78.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid
CID 146521368
5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656499
2-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzonitrile
CID 122656537
ethane;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 90978639
ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 144951341
5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
CID 116823361
5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656724
3-methyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzonitrile
CID 122656623
5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4056938
5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 145180839
5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one
CID 82084268
5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4516447

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one (CID 89060824) is 5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one is Cc1ccc(N=O)cc1-c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VVORVDGOFBAMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-8-2-4-10(17-19)7-11(8)9-3-5-12-13(6-9)16-14(18)15-12/h2-7H,1H3,(H2,15,16,18).
What are the key properties of 5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one?
5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 253.26 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 89060824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).