3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one

C18H11N3O3 — CID 16741826

IUPAC3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one
SMILESO=c1c(-c2nc3[nH]c4ccccc4c3[nH]2)coc2cc(O)ccc12
InChIInChI=1S/C18H11N3O3/c22-9-5-6-11-14(7-9)24-8-12(16(11)23)17-20-15-10-3-1-2-4-13(10)19-18(15)21-17/h1-8,19,22H,(H,20,21)
InChIKeyWPBPYSOJEXTEHD-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.52
Rot. Bonds1

About 3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one

3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one (PubChem CID 16741826) has the molecular formula C18H11N3O3 and a molecular weight of 317.30 g/mol. Its IUPAC name is 3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one.

Molecular Properties

Compound Name3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one
PubChem CID16741826
Molecular FormulaC18H11N3O3
Molecular Weight317.30 g/mol
Exact Mass317.08
IUPAC Name3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one
SMILESO=c1c(-c2nc3[nH]c4ccccc4c3[nH]2)coc2cc(O)ccc12
InChIInChI=1S/C18H11N3O3/c22-9-5-6-11-14(7-9)24-8-12(16(11)23)17-20-15-10-3-1-2-4-13(10)19-18(15)21-17/h1-8,19,22H,(H,20,21)
InChIKeyWPBPYSOJEXTEHD-UHFFFAOYSA-N
XLogP3.52
TPSA94.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one?
The IUPAC name of 3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one (CID 16741826) is 3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one.
What is the SMILES notation for 3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one?
The canonical SMILES for 3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one is O=c1c(-c2nc3[nH]c4ccccc4c3[nH]2)coc2cc(O)ccc12.
What is the InChIKey of 3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one?
The InChIKey is WPBPYSOJEXTEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O3/c22-9-5-6-11-14(7-9)24-8-12(16(11)23)17-20-15-10-3-1-2-4-13(10)19-18(15)21-17/h1-8,19,22H,(H,20,21).
What are the key properties of 3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one?
3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one has a molecular weight of 317.30 g/mol, XLogP of 3.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one is sourced from PubChem (CID 16741826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).