methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate

C15H13N3O3 — CID 146175415

IUPACmethyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-n2c(=O)[nH]c3cccc(C)c32)cn1
InChIInChI=1S/C15H13N3O3/c1-9-4-3-5-11-13(9)18(15(20)17-11)10-6-7-12(16-8-10)14(19)21-2/h3-8H,1-2H3,(H,17,20)
InChIKeyLUBLCQGIDMKSAL-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.81
Rot. Bonds2

About methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate

methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate (PubChem CID 146175415) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate
PubChem CID146175415
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Namemethyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-n2c(=O)[nH]c3cccc(C)c32)cn1
InChIInChI=1S/C15H13N3O3/c1-9-4-3-5-11-13(9)18(15(20)17-11)10-6-7-12(16-8-10)14(19)21-2/h3-8H,1-2H3,(H,17,20)
InChIKeyLUBLCQGIDMKSAL-UHFFFAOYSA-N
XLogP1.81
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one
CID 117209156
N-methyl-5-(4-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxamide
CID 150749802
4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117209238
4-methyl-3-(2-methylphenyl)-1H-benzimidazol-2-one
CID 117209197
2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide
CID 175073755
7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid
CID 154197959
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate
CID 170546048
4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide
CID 175073754
methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate
CID 67578649
carbon dioxide;methyl 5-methylpyridine-2-carboxylate
CID 157165111
methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168699445

Frequently Asked Questions

What is the IUPAC name of methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate (CID 146175415) is methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate is COC(=O)c1ccc(-n2c(=O)[nH]c3cccc(C)c32)cn1.
What is the InChIKey of methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate?
The InChIKey is LUBLCQGIDMKSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-4-3-5-11-13(9)18(15(20)17-11)10-6-7-12(16-8-10)14(19)21-2/h3-8H,1-2H3,(H,17,20).
What are the key properties of methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate?
methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 146175415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).