3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one

C14H10N4O2 — CID 151138139

IUPAC3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(-n3c(=O)[nH]c4ccccc43)cc2[nH]1
InChIInChI=1S/C14H10N4O2/c19-13-15-9-6-5-8(7-11(9)16-13)18-12-4-2-1-3-10(12)17-14(18)20/h1-7H,(H,17,20)(H2,15,16,19)
InChIKeyMVPYUOMLDKTLLS-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.49
Rot. Bonds1

About 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one

3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one (PubChem CID 151138139) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one
PubChem CID151138139
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(-n3c(=O)[nH]c4ccccc43)cc2[nH]1
InChIInChI=1S/C14H10N4O2/c19-13-15-9-6-5-8(7-11(9)16-13)18-12-4-2-1-3-10(12)17-14(18)20/h1-7H,(H,17,20)(H2,15,16,19)
InChIKeyMVPYUOMLDKTLLS-UHFFFAOYSA-N
XLogP1.49
TPSA86.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82513951
3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one
CID 174749745
3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one
CID 146172820
3-(6-bromo-3-pyridinyl)-1H-benzimidazol-2-one
CID 146172987
3-quinolin-3-yl-1H-benzimidazol-2-one
CID 150795501
5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 154591707
3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one
CID 171746097
1,3-dihydrobenzimidazol-2-one;zinc
CID 174871541
1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione
CID 122491694
5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one
CID 117208442
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one
CID 150942006

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one (CID 151138139) is 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one is O=c1[nH]c2ccc(-n3c(=O)[nH]c4ccccc43)cc2[nH]1.
What is the InChIKey of 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one?
The InChIKey is MVPYUOMLDKTLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-13-15-9-6-5-8(7-11(9)16-13)18-12-4-2-1-3-10(12)17-14(18)20/h1-7H,(H,17,20)(H2,15,16,19).
What are the key properties of 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one?
3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one has a molecular weight of 266.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 151138139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).