3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one

C18H14N2O3 — CID 5391770

IUPAC3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one
SMILESCCc1cc2c(=O)c(-n3cnc4ccccc43)coc2cc1O
InChIInChI=1S/C18H14N2O3/c1-2-11-7-12-17(8-16(11)21)23-9-15(18(12)22)20-10-19-13-5-3-4-6-14(13)20/h3-10,21H,2H2,1H3
InChIKeyKHSMWQLOSRGSON-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.40
Rot. Bonds2

About 3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one

3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one (PubChem CID 5391770) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one
PubChem CID5391770
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one
SMILESCCc1cc2c(=O)c(-n3cnc4ccccc43)coc2cc1O
InChIInChI=1S/C18H14N2O3/c1-2-11-7-12-17(8-16(11)21)23-9-15(18(12)22)20-10-19-13-5-3-4-6-14(13)20/h3-10,21H,2H2,1H3
InChIKeyKHSMWQLOSRGSON-UHFFFAOYSA-N
XLogP3.40
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one?
The IUPAC name of 3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one (CID 5391770) is 3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one.
What is the SMILES notation for 3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one?
The canonical SMILES for 3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one is CCc1cc2c(=O)c(-n3cnc4ccccc43)coc2cc1O.
What is the InChIKey of 3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one?
The InChIKey is KHSMWQLOSRGSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-2-11-7-12-17(8-16(11)21)23-9-15(18(12)22)20-10-19-13-5-3-4-6-14(13)20/h3-10,21H,2H2,1H3.
What are the key properties of 3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one?
3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one has a molecular weight of 306.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one is sourced from PubChem (CID 5391770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).