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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Related Compounds

1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one
CID 740267
1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one
CID 22434306
1,2-dimethylchromeno[3,4-d]imidazol-4-one
CID 773639
1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one
CID 66646808
3-[4-(diethylamino)butoxy]xanthen-9-one
CID 25199046
3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one
CID 110186491
4-(diethylaminomethyl)-3-hydroxychromen-2-one
CID 125486554
2-[3-[butyl-[(4-methoxyphenyl)methyl]amino]propyl]-3-methylchromeno[4,3-c]pyrazol-4-one
CID 171804335
chromeno[3,4-b]pyrazin-5-one
CID 691239
3-[3-[benzyl(butyl)amino]propyl]-5H-pyrimido[5,4-b]indol-4-one
CID 23604607
1-(2,3-dihydro-1H-inden-5-yl)chromeno[3,4-d]imidazol-4-one
CID 66647119
(1R)-1-(3,4-dichlorophenyl)-2-[3-(diethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2014324

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).