methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate

C16H15N3O4 — CID 166099459

IUPACmethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(cn1)[nH]c(=O)n2Cc1ccc(OC)cc1
InChIInChI=1S/C16H15N3O4/c1-22-11-5-3-10(4-6-11)9-19-14-7-12(15(20)23-2)17-8-13(14)18-16(19)21/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyRSHJGDRBHVRRCF-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.57
Rot. Bonds4

About methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate

methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 166099459) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID166099459
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Namemethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(cn1)[nH]c(=O)n2Cc1ccc(OC)cc1
InChIInChI=1S/C16H15N3O4/c1-22-11-5-3-10(4-6-11)9-19-14-7-12(15(20)23-2)17-8-13(14)18-16(19)21/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyRSHJGDRBHVRRCF-UHFFFAOYSA-N
XLogP1.57
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one
CID 178075733
2-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-7H-purin-8-one
CID 175808741
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207490
methyl 3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxylate
CID 59926336
methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate
CID 44549659
1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 7451501
3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209083
3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 45030945
4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117209092
4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 175994685

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate (CID 166099459) is methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)c1cc2c(cn1)[nH]c(=O)n2Cc1ccc(OC)cc1.
What is the InChIKey of methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is RSHJGDRBHVRRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-22-11-5-3-10(4-6-11)9-19-14-7-12(15(20)23-2)17-8-13(14)18-16(19)21/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate?
methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 166099459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).