7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid

C15H14N2O3S — CID 67414964

IUPAC7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2nc(Cc3cccs3)n(C)c12
InChIInChI=1S/C15H14N2O3S/c1-17-12(8-9-4-3-7-21-9)16-13-10(15(18)19)5-6-11(20-2)14(13)17/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyNADRATGQGGVNIB-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.93
Rot. Bonds4

About 7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid

7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid (PubChem CID 67414964) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid
PubChem CID67414964
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2nc(Cc3cccs3)n(C)c12
InChIInChI=1S/C15H14N2O3S/c1-17-12(8-9-4-3-7-21-9)16-13-10(15(18)19)5-6-11(20-2)14(13)17/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyNADRATGQGGVNIB-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 106793477
2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
CID 115543008
1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
CID 82067986
(2R)-N-(2-methoxyphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
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CID 7742629
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 41253802
2-[(3,4-dimethoxyphenyl)methyl]thiophene
CID 175110025
2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid
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6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid
CID 62702609
4-methoxy-N-[2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide
CID 16511412
1-[4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802590
1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-thiophen-2-ylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid (CID 67414964) is 7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid is COc1ccc(C(=O)O)c2nc(Cc3cccs3)n(C)c12.
What is the InChIKey of 7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid?
The InChIKey is NADRATGQGGVNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-17-12(8-9-4-3-7-21-9)16-13-10(15(18)19)5-6-11(20-2)14(13)17/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid?
7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 67414964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).