[6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate

C22H20N2O4 — CID 3092570

IUPAC[6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate
SMILESCCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2cc1OC(C)=O
InChIInChI=1S/C22H20N2O4/c1-5-14-10-15-19(11-18(14)28-13(3)25)27-12(2)20(21(15)26)22-23-16-8-6-7-9-17(16)24(22)4/h6-11H,5H2,1-4H3
InChIKeyHTTVYKXJCQENKW-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.14
Rot. Bonds3

About [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate

[6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate (PubChem CID 3092570) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate.

Molecular Properties

Compound Name[6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate
PubChem CID3092570
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name[6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate
SMILESCCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2cc1OC(C)=O
InChIInChI=1S/C22H20N2O4/c1-5-14-10-15-19(11-18(14)28-13(3)25)27-12(2)20(21(15)26)22-23-16-8-6-7-9-17(16)24(22)4/h6-11H,5H2,1-4H3
InChIKeyHTTVYKXJCQENKW-UHFFFAOYSA-N
XLogP4.14
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one
CID 4755245
[6-hexyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] benzoate
CID 100931668
[3-(1H-benzimidazol-2-yl)-2-methyl-4-oxochromen-7-yl] acetate
CID 5035824
6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-propan-2-ylchromen-7-olate
CID 1386805
(6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate
CID 740771
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] 2-bromobenzoate
CID 4630043
2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one
CID 75366120
(2-methyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate
CID 728465
2-[6-ethyl-3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetic acid
CID 1322096
3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one
CID 740768
[3-(1,3-benzothiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate
CID 4533347
3-(1-methylbenzimidazol-2-yl)chromen-2-one
CID 951231

Frequently Asked Questions

What is the IUPAC name of [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate?
The IUPAC name of [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate (CID 3092570) is [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate.
What is the SMILES notation for [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate?
The canonical SMILES for [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate is CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2cc1OC(C)=O.
What is the InChIKey of [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate?
The InChIKey is HTTVYKXJCQENKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-5-14-10-15-19(11-18(14)28-13(3)25)27-12(2)20(21(15)26)22-23-16-8-6-7-9-17(16)24(22)4/h6-11H,5H2,1-4H3.
What are the key properties of [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate?
[6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate has a molecular weight of 376.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate is sourced from PubChem (CID 3092570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).