2-(3H-benzimidazol-5-yl)chromen-4-one

C16H10N2O2 — CID 10061237

IUPAC2-(3H-benzimidazol-5-yl)chromen-4-one
SMILESO=c1cc(-c2ccc3nc[nH]c3c2)oc2ccccc12
InChIInChI=1S/C16H10N2O2/c19-14-8-16(20-15-4-2-1-3-11(14)15)10-5-6-12-13(7-10)18-9-17-12/h1-9H,(H,17,18)
InChIKeyOLUVYGCWSCHFPI-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.34
Rot. Bonds1

About 2-(3H-benzimidazol-5-yl)chromen-4-one

2-(3H-benzimidazol-5-yl)chromen-4-one (PubChem CID 10061237) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)chromen-4-one.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)chromen-4-one
PubChem CID10061237
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name2-(3H-benzimidazol-5-yl)chromen-4-one
SMILESO=c1cc(-c2ccc3nc[nH]c3c2)oc2ccccc12
InChIInChI=1S/C16H10N2O2/c19-14-8-16(20-15-4-2-1-3-11(14)15)10-5-6-12-13(7-10)18-9-17-12/h1-9H,(H,17,18)
InChIKeyOLUVYGCWSCHFPI-UHFFFAOYSA-N
XLogP3.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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copper;2-phenylchromen-4-one
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2-(3,4-dimethoxyphenyl)chromen-4-one
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2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one
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2-(4-oxochromen-2-yl)-1H-pyridin-4-one
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2-(4-nonoxyphenyl)chromen-4-one
CID 10570795
2-(4-fluoro-3-methoxyphenyl)chromen-4-one
CID 134910411
2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one
CID 102579300
2-(3H-benzimidazol-5-yl)phenol
CID 162260962
4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one
CID 141171310

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)chromen-4-one?
The IUPAC name of 2-(3H-benzimidazol-5-yl)chromen-4-one (CID 10061237) is 2-(3H-benzimidazol-5-yl)chromen-4-one.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)chromen-4-one?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)chromen-4-one is O=c1cc(-c2ccc3nc[nH]c3c2)oc2ccccc12.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)chromen-4-one?
The InChIKey is OLUVYGCWSCHFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-14-8-16(20-15-4-2-1-3-11(14)15)10-5-6-12-13(7-10)18-9-17-12/h1-9H,(H,17,18).
What are the key properties of 2-(3H-benzimidazol-5-yl)chromen-4-one?
2-(3H-benzimidazol-5-yl)chromen-4-one has a molecular weight of 262.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)chromen-4-one is sourced from PubChem (CID 10061237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).