methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate

C18H13N3O2 — CID 141307850

IUPACmethyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate
SMILESCOC(=O)c1cc(-c2nc3ccccc3[nH]2)cc2cccnc12
InChIInChI=1S/C18H13N3O2/c1-23-18(22)13-10-12(9-11-5-4-8-19-16(11)13)17-20-14-6-2-3-7-15(14)21-17/h2-10H,1H3,(H,20,21)
InChIKeyPUFHALUCIAPVOI-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.56
Rot. Bonds2

About methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate

methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate (PubChem CID 141307850) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate
PubChem CID141307850
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Namemethyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate
SMILESCOC(=O)c1cc(-c2nc3ccccc3[nH]2)cc2cccnc12
InChIInChI=1S/C18H13N3O2/c1-23-18(22)13-10-12(9-11-5-4-8-19-16(11)13)17-20-14-6-2-3-7-15(14)21-17/h2-10H,1H3,(H,20,21)
InChIKeyPUFHALUCIAPVOI-UHFFFAOYSA-N
XLogP3.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
CID 68519685
methyl 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetate
CID 645213
5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid
CID 136510486
2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole
CID 168553556
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
methyl 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetate
CID 168555121
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
methyl 2-[4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenoxy]acetate
CID 168555138
methyl 6-(1-pyrimidin-5-ylethenyl)quinoline-8-carboxylate
CID 118378703
methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
CID 115357602

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate?
The IUPAC name of methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate (CID 141307850) is methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate.
What is the SMILES notation for methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate?
The canonical SMILES for methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate is COC(=O)c1cc(-c2nc3ccccc3[nH]2)cc2cccnc12.
What is the InChIKey of methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate?
The InChIKey is PUFHALUCIAPVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-23-18(22)13-10-12(9-11-5-4-8-19-16(11)13)17-20-14-6-2-3-7-15(14)21-17/h2-10H,1H3,(H,20,21).
What are the key properties of methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate?
methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate is sourced from PubChem (CID 141307850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).