8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide

C21H19N3O4 — CID 17403937

IUPAC8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide
SMILESCCCn1c(NC(=O)c2cc3cccc(OC)c3oc2=O)nc2ccccc21
InChIInChI=1S/C21H19N3O4/c1-3-11-24-16-9-5-4-8-15(16)22-21(24)23-19(25)14-12-13-7-6-10-17(27-2)18(13)28-20(14)26/h4-10,12H,3,11H2,1-2H3,(H,22,23,25)
InChIKeyYFPMWWREBNMTPR-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.81
Rot. Bonds5

About 8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide

8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide (PubChem CID 17403937) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide
PubChem CID17403937
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide
SMILESCCCn1c(NC(=O)c2cc3cccc(OC)c3oc2=O)nc2ccccc21
InChIInChI=1S/C21H19N3O4/c1-3-11-24-16-9-5-4-8-15(16)22-21(24)23-19(25)14-12-13-7-6-10-17(27-2)18(13)28-20(14)26/h4-10,12H,3,11H2,1-2H3,(H,22,23,25)
InChIKeyYFPMWWREBNMTPR-UHFFFAOYSA-N
XLogP3.81
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 31510194
2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36717326
N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 4875619
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone
CID 711826
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide (CID 17403937) is 8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide is CCCn1c(NC(=O)c2cc3cccc(OC)c3oc2=O)nc2ccccc21.
What is the InChIKey of 8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide?
The InChIKey is YFPMWWREBNMTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-3-11-24-16-9-5-4-8-15(16)22-21(24)23-19(25)14-12-13-7-6-10-17(27-2)18(13)28-20(14)26/h4-10,12H,3,11H2,1-2H3,(H,22,23,25).
What are the key properties of 8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide?
8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 17403937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).