7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one

C20H21N3O2 — CID 153326132

IUPAC7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one
SMILESCN(C)c1ccc2cc(C3N(C)c4ccccc4N3C)c(=O)oc2c1
InChIInChI=1S/C20H21N3O2/c1-21(2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-22(3)16-7-5-6-8-17(16)23(19)4/h5-12,19H,1-4H3
InChIKeyPUYLARZGRJOKGZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.44
Rot. Bonds2

About 7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one

7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one (PubChem CID 153326132) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one
PubChem CID153326132
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one
SMILESCN(C)c1ccc2cc(C3N(C)c4ccccc4N3C)c(=O)oc2c1
InChIInChI=1S/C20H21N3O2/c1-21(2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-22(3)16-7-5-6-8-17(16)23(19)4/h5-12,19H,1-4H3
InChIKeyPUYLARZGRJOKGZ-UHFFFAOYSA-N
XLogP3.44
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.44
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-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one?
The IUPAC name of 7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one (CID 153326132) is 7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one.
What is the SMILES notation for 7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one?
The canonical SMILES for 7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one is CN(C)c1ccc2cc(C3N(C)c4ccccc4N3C)c(=O)oc2c1.
What is the InChIKey of 7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one?
The InChIKey is PUYLARZGRJOKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-21(2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-22(3)16-7-5-6-8-17(16)23(19)4/h5-12,19H,1-4H3.
What are the key properties of 7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one?
7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one is sourced from PubChem (CID 153326132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).