1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one

C19H14N2O2 — CID 66647119

IUPAC1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one
SMILESO=c1oc2ccccc2c2c1ncn2-c1ccc2c(c1)CCC2
InChIInChI=1S/C19H14N2O2/c22-19-17-18(15-6-1-2-7-16(15)23-19)21(11-20-17)14-9-8-12-4-3-5-13(12)10-14/h1-2,6-11H,3-5H2
InChIKeyGHUIAMMIELAMFV-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.62
Rot. Bonds1

About 1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one

1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one (PubChem CID 66647119) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one
PubChem CID66647119
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one
SMILESO=c1oc2ccccc2c2c1ncn2-c1ccc2c(c1)CCC2
InChIInChI=1S/C19H14N2O2/c22-19-17-18(15-6-1-2-7-16(15)23-19)21(11-20-17)14-9-8-12-4-3-5-13(12)10-14/h1-2,6-11H,3-5H2
InChIKeyGHUIAMMIELAMFV-UHFFFAOYSA-N
XLogP3.62
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one (CID 66647119) is 1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one is O=c1oc2ccccc2c2c1ncn2-c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one?
The InChIKey is GHUIAMMIELAMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-19-17-18(15-6-1-2-7-16(15)23-19)21(11-20-17)14-9-8-12-4-3-5-13(12)10-14/h1-2,6-11H,3-5H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one?
1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one has a molecular weight of 302.33 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 66647119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).