3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid

C14H12N2O3 — CID 112577090

IUPAC3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1Cc1ccco1
InChIInChI=1S/C14H12N2O3/c1-9-15-12-6-2-5-11(14(17)18)13(12)16(9)8-10-4-3-7-19-10/h2-7H,8H2,1H3,(H,17,18)
InChIKeyHCZURVLGUILVBD-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.68
Rot. Bonds3

About 3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid

3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid (PubChem CID 112577090) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid
PubChem CID112577090
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1Cc1ccco1
InChIInChI=1S/C14H12N2O3/c1-9-15-12-6-2-5-11(14(17)18)13(12)16(9)8-10-4-3-7-19-10/h2-7H,8H2,1H3,(H,17,18)
InChIKeyHCZURVLGUILVBD-UHFFFAOYSA-N
XLogP2.68
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115932824
2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid
CID 115933267
2-methyl-3-(pyridazin-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 106897309
2-methyl-3-[2-(methylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 112577140
2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid
CID 112577289
3-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577362
2-methyl-3-(2-thiomorpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 106326675
2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid
CID 106106057
2-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115933345
2-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115933343
2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole
CID 115552693
3-[2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 70896215

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid?
The IUPAC name of 3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid (CID 112577090) is 3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid is Cc1nc2cccc(C(=O)O)c2n1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid?
The InChIKey is HCZURVLGUILVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9-15-12-6-2-5-11(14(17)18)13(12)16(9)8-10-4-3-7-19-10/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid?
3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 112577090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).