1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one

C14H15N3O2 — CID 740267

IUPAC1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one
SMILESCN(C)CCn1cnc2c(=O)oc3ccccc3c21
InChIInChI=1S/C14H15N3O2/c1-16(2)7-8-17-9-15-12-13(17)10-5-3-4-6-11(10)19-14(12)18/h3-6,9H,7-8H2,1-2H3
InChIKeyVNQUVRXVRMMEOS-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.70
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one

1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one (PubChem CID 740267) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one
PubChem CID740267
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one
SMILESCN(C)CCn1cnc2c(=O)oc3ccccc3c21
InChIInChI=1S/C14H15N3O2/c1-16(2)7-8-17-9-15-12-13(17)10-5-3-4-6-11(10)19-14(12)18/h3-6,9H,7-8H2,1-2H3
InChIKeyVNQUVRXVRMMEOS-UHFFFAOYSA-N
XLogP1.70
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.70
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)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-propyl-
CID 55656
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-phenyl-
CID 55662
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-cyclohexyl-
CID 55660
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-cyclopentyl-
CID 55659
1-Ethylchromeno[3,4-d]triazol-4-one
CID 805720
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-methyl-
CID 55654
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-ethyl-
CID 55655
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-(1-methylethyl)-
CID 55657
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-butyl-
CID 55658
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-(phenylmethyl)-
CID 55661
1-Ethyl-2-methyl-1H-chromeno[3,4-d]imidazol-4-one
CID 648915
1-[3-(4-methyl-1-piperazinyl)propyl]chromeno[3,4-d]imidazol-4(1H)-one
CID 740271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one (CID 740267) is 1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one is CN(C)CCn1cnc2c(=O)oc3ccccc3c21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one?
The InChIKey is VNQUVRXVRMMEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16(2)7-8-17-9-15-12-13(17)10-5-3-4-6-11(10)19-14(12)18/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one?
1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one has a molecular weight of 257.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 740267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).