1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one

C23H23N3O5 — CID 175345832

IUPAC1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(-c2c(-n3c(=O)[nH]c4cnccc43)cc(OC)c(OC)c2OC)cc1C
InChIInChI=1S/C23H23N3O5/c1-13-10-14(6-7-18(13)28-2)20-17(11-19(29-3)21(30-4)22(20)31-5)26-16-8-9-24-12-15(16)25-23(26)27/h6-12H,1-5H3,(H,25,27)
InChIKeyIQQOFYBCFABQNQ-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.72
Rot. Bonds6

About 1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one

1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 175345832) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID175345832
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(-c2c(-n3c(=O)[nH]c4cnccc43)cc(OC)c(OC)c2OC)cc1C
InChIInChI=1S/C23H23N3O5/c1-13-10-14(6-7-18(13)28-2)20-17(11-19(29-3)21(30-4)22(20)31-5)26-16-8-9-24-12-15(16)25-23(26)27/h6-12H,1-5H3,(H,25,27)
InChIKeyIQQOFYBCFABQNQ-UHFFFAOYSA-N
XLogP3.72
TPSA87.60 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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one with MolForge

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Related Compounds

1-[6-(3-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-one
CID 162346420
1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 152605338
methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate
CID 141422866
3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one
CID 82513986
6-(4-methoxy-3-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 163362345
1-(5-chloro-2,4-dimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79272608
1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296457
3-(2-chlorophenyl)-1H-imidazo[4,5-c]pyridin-2-one
CID 146172496
3-amino-7,8-dimethoxy-2-(4-methyl-3-pyridinyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599954
1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one
CID 145296034
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
[3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid
CID 129031933

Frequently Asked Questions

What is the IUPAC name of 1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one (CID 175345832) is 1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one is COc1ccc(-c2c(-n3c(=O)[nH]c4cnccc43)cc(OC)c(OC)c2OC)cc1C.
What is the InChIKey of 1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is IQQOFYBCFABQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-13-10-14(6-7-18(13)28-2)20-17(11-19(29-3)21(30-4)22(20)31-5)26-16-8-9-24-12-15(16)25-23(26)27/h6-12H,1-5H3,(H,25,27).
What are the key properties of 1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one?
1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 421.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4,5-trimethoxy-2-(4-methoxy-3-methylphenyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 175345832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).