3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid

C14H12N2O3 — CID 43244444

IUPAC3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1nc2ccccc2n1Cc1ccoc1C(=O)O
InChIInChI=1S/C14H12N2O3/c1-9-15-11-4-2-3-5-12(11)16(9)8-10-6-7-19-13(10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyVYTFHTXCMDGPHL-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.68
Rot. Bonds3

About 3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid

3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 43244444) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
PubChem CID43244444
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1nc2ccccc2n1Cc1ccoc1C(=O)O
InChIInChI=1S/C14H12N2O3/c1-9-15-11-4-2-3-5-12(11)16(9)8-10-6-7-19-13(10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyVYTFHTXCMDGPHL-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-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid
CID 62374530
3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 115578490
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 107119584
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide
CID 63578986
1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole
CID 62470224
3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 62351599
1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid (CID 43244444) is 3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid is Cc1nc2ccccc2n1Cc1ccoc1C(=O)O.
What is the InChIKey of 3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is VYTFHTXCMDGPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9-15-11-4-2-3-5-12(11)16(9)8-10-6-7-19-13(10)14(17)18/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid?
3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-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-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 43244444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).