7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one

C19H17N3O2 — CID 87679527

IUPAC7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
SMILESCN(C)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
InChIInChI=1S/C19H17N3O2/c1-21(2)13-9-8-12-10-14(19(23)24-17(12)11-13)18-20-15-6-4-5-7-16(15)22(18)3/h4-11H,1-3H3
InChIKeyOBGKZBPSEKTHHZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.41
Rot. Bonds2

About 7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one

7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one (PubChem CID 87679527) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
PubChem CID87679527
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
SMILESCN(C)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
InChIInChI=1S/C19H17N3O2/c1-21(2)13-9-8-12-10-14(19(23)24-17(12)11-13)18-20-15-6-4-5-7-16(15)22(18)3/h4-11H,1-3H3
InChIKeyOBGKZBPSEKTHHZ-UHFFFAOYSA-N
XLogP3.41
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.41
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 7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one?
The IUPAC name of 7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one (CID 87679527) is 7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one.
What is the SMILES notation for 7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one?
The canonical SMILES for 7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one is CN(C)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1.
What is the InChIKey of 7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one?
The InChIKey is OBGKZBPSEKTHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-21(2)13-9-8-12-10-14(19(23)24-17(12)11-13)18-20-15-6-4-5-7-16(15)22(18)3/h4-11H,1-3H3.
What are the key properties of 7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one?
7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one is sourced from PubChem (CID 87679527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).