methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate

C15H13N3O3 — CID 115357602

IUPACmethyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(-c3cccnc3OC)nc12
InChIInChI=1S/C15H13N3O3/c1-20-14-10(6-4-8-16-14)13-17-11-7-3-5-9(12(11)18-13)15(19)21-2/h3-8H,1-2H3,(H,17,18)
InChIKeyBUACKGANPLSEHU-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.42
Rot. Bonds3

About methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate

methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate (PubChem CID 115357602) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
PubChem CID115357602
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Namemethyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(-c3cccnc3OC)nc12
InChIInChI=1S/C15H13N3O3/c1-20-14-10(6-4-8-16-14)13-17-11-7-3-5-9(12(11)18-13)15(19)21-2/h3-8H,1-2H3,(H,17,18)
InChIKeyBUACKGANPLSEHU-UHFFFAOYSA-N
XLogP2.42
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357707
2-(2-methoxy-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole
CID 82000881
[2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine
CID 104721137
methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate
CID 115357586
methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
CID 115357533
methyl 2-[4-chloro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 67201064
methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate
CID 115357609
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914
methyl 2-(5-bromofuran-2-yl)-1H-benzimidazole-4-carboxylate
CID 113293389
methyl 2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1H-benzimidazole-4-carboxylate
CID 136502034
methyl 2-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723742
2-(2-methoxy-3-pyridinyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821760

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate (CID 115357602) is methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate is COC(=O)c1cccc2[nH]c(-c3cccnc3OC)nc12.
What is the InChIKey of methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate?
The InChIKey is BUACKGANPLSEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-14-10(6-4-8-16-14)13-17-11-7-3-5-9(12(11)18-13)15(19)21-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate?
methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 115357602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).