methyl 7-methoxy-1H-benzimidazole-4-carboxylate

C10H10N2O3 — CID 22663455

IUPACmethyl 7-methoxy-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2[nH]cnc12
InChIInChI=1S/C10H10N2O3/c1-14-7-4-3-6(10(13)15-2)8-9(7)12-5-11-8/h3-5H,1-2H3,(H,11,12)
InChIKeyOGYVRVJGWIGLRN-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.36
Rot. Bonds2

About methyl 7-methoxy-1H-benzimidazole-4-carboxylate

methyl 7-methoxy-1H-benzimidazole-4-carboxylate (PubChem CID 22663455) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 7-methoxy-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-1H-benzimidazole-4-carboxylate
PubChem CID22663455
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 7-methoxy-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2[nH]cnc12
InChIInChI=1S/C10H10N2O3/c1-14-7-4-3-6(10(13)15-2)8-9(7)12-5-11-8/h3-5H,1-2H3,(H,11,12)
InChIKeyOGYVRVJGWIGLRN-UHFFFAOYSA-N
XLogP1.36
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid
CID 131407690
methyl 7-methoxy-1H-indole-4-carboxylate
CID 11020003
methyl 7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxylate
CID 22663368
methyl 4-amino-1H-benzimidazole-5-carboxylate
CID 131010029
methyl 7-methoxy-2-phenyl-1H-benzimidazole-4-carboxylate
CID 22663468
methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate
CID 22663333
methyl 6,7-difluoro-3H-benzimidazole-4-carboxylate
CID 122686803
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate
CID 163198181
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid
CID 67628147
methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate
CID 68793766

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 7-methoxy-1H-benzimidazole-4-carboxylate (CID 22663455) is methyl 7-methoxy-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 7-methoxy-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 7-methoxy-1H-benzimidazole-4-carboxylate is COC(=O)c1ccc(OC)c2[nH]cnc12.
What is the InChIKey of methyl 7-methoxy-1H-benzimidazole-4-carboxylate?
The InChIKey is OGYVRVJGWIGLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-14-7-4-3-6(10(13)15-2)8-9(7)12-5-11-8/h3-5H,1-2H3,(H,11,12).
What are the key properties of methyl 7-methoxy-1H-benzimidazole-4-carboxylate?
methyl 7-methoxy-1H-benzimidazole-4-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 22663455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).