2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

C23H23N3O5 — CID 75492066

IUPAC2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCOc1ccc2c(C)c(CC(=O)NCc3nc4ccccc4n3C)c(=O)oc2c1OC
InChIInChI=1S/C23H23N3O5/c1-13-14-9-10-18(29-3)22(30-4)21(14)31-23(28)15(13)11-20(27)24-12-19-25-16-7-5-6-8-17(16)26(19)2/h5-10H,11-12H2,1-4H3,(H,24,27)
InChIKeyLGDFCGIHJZYSMW-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.86
Rot. Bonds6

About 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 75492066) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
PubChem CID75492066
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCOc1ccc2c(C)c(CC(=O)NCc3nc4ccccc4n3C)c(=O)oc2c1OC
InChIInChI=1S/C23H23N3O5/c1-13-14-9-10-18(29-3)22(30-4)21(14)31-23(28)15(13)11-20(27)24-12-19-25-16-7-5-6-8-17(16)26(19)2/h5-10H,11-12H2,1-4H3,(H,24,27)
InChIKeyLGDFCGIHJZYSMW-UHFFFAOYSA-N
XLogP2.86
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide
CID 56723679
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide
CID 4868951
2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]benzamide
CID 4868879
N-[(4-chlorophenyl)methyl]-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4913962
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 75490330
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4964837
methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 71754264
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18093027
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide
CID 41025248
2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4870042
N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4973849

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (CID 75492066) is 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is COc1ccc2c(C)c(CC(=O)NCc3nc4ccccc4n3C)c(=O)oc2c1OC.
What is the InChIKey of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is LGDFCGIHJZYSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-13-14-9-10-18(29-3)22(30-4)21(14)31-23(28)15(13)11-20(27)24-12-19-25-16-7-5-6-8-17(16)26(19)2/h5-10H,11-12H2,1-4H3,(H,24,27).
What are the key properties of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 421.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 75492066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).