1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one

C17H21N3O2 — CID 845300

IUPAC1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one
SMILESCCN(CC)CCCn1cnc2c(=O)oc3ccccc3c21
InChIInChI=1S/C17H21N3O2/c1-3-19(4-2)10-7-11-20-12-18-15-16(20)13-8-5-6-9-14(13)22-17(15)21/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3
InChIKeyIORZUEVBIOJPKT-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.87
Rot. Bonds6

About 1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one

1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one (PubChem CID 845300) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one
PubChem CID845300
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one
SMILESCCN(CC)CCCn1cnc2c(=O)oc3ccccc3c21
InChIInChI=1S/C17H21N3O2/c1-3-19(4-2)10-7-11-20-12-18-15-16(20)13-8-5-6-9-14(13)22-17(15)21/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3
InChIKeyIORZUEVBIOJPKT-UHFFFAOYSA-N
XLogP2.87
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one (CID 845300) is 1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one is CCN(CC)CCCn1cnc2c(=O)oc3ccccc3c21.
What is the InChIKey of 1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one?
The InChIKey is IORZUEVBIOJPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-19(4-2)10-7-11-20-12-18-15-16(20)13-8-5-6-9-14(13)22-17(15)21/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3.
What are the key properties of 1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one?
1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one has a molecular weight of 299.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 845300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).