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

C18H14N2O3 — CID 679749

IUPAC7-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one
SMILESCOc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
InChIInChI=1S/C18H14N2O3/c1-20-15-6-4-3-5-14(15)19-17(20)13-9-11-7-8-12(22-2)10-16(11)23-18(13)21/h3-10H,1-2H3
InChIKeySNFNEAMPSJJIQE-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.36
Rot. Bonds2

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

7-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one (PubChem CID 679749) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 7-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one
PubChem CID679749
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name7-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one
SMILESCOc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
InChIInChI=1S/C18H14N2O3/c1-20-15-6-4-3-5-14(15)19-17(20)13-9-11-7-8-12(22-2)10-16(11)23-18(13)21/h3-10H,1-2H3
InChIKeySNFNEAMPSJJIQE-UHFFFAOYSA-N
XLogP3.36
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.36
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-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one?
The IUPAC name of 7-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one (CID 679749) is 7-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one.
What is the SMILES notation for 7-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one?
The canonical SMILES for 7-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one is COc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one?
The InChIKey is SNFNEAMPSJJIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-20-15-6-4-3-5-14(15)19-17(20)13-9-11-7-8-12(22-2)10-16(11)23-18(13)21/h3-10H,1-2H3.
What are the key properties of 7-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one?
7-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one has a molecular weight of 306.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one is sourced from PubChem (CID 679749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).