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

C16H16N2O3 — CID 115578490

IUPAC3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
SMILESCCCc1nc2ccccc2n1Cc1ccoc1C(=O)O
InChIInChI=1S/C16H16N2O3/c1-2-5-14-17-12-6-3-4-7-13(12)18(14)10-11-8-9-21-15(11)16(19)20/h3-4,6-9H,2,5,10H2,1H3,(H,19,20)
InChIKeyGMIGICMPUINRRD-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.33
Rot. Bonds5

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

3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 115578490) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
PubChem CID115578490
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
SMILESCCCc1nc2ccccc2n1Cc1ccoc1C(=O)O
InChIInChI=1S/C16H16N2O3/c1-2-5-14-17-12-6-3-4-7-13(12)18(14)10-11-8-9-21-15(11)16(19)20/h3-4,6-9H,2,5,10H2,1H3,(H,19,20)
InChIKeyGMIGICMPUINRRD-UHFFFAOYSA-N
XLogP3.33
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 43244444
3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid
CID 62374530
1-benzyl-2-propylbenzimidazole
CID 764560
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid
CID 115970892
5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 82144541
2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid
CID 15284923
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid (CID 115578490) is 3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid is CCCc1nc2ccccc2n1Cc1ccoc1C(=O)O.
What is the InChIKey of 3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is GMIGICMPUINRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-5-14-17-12-6-3-4-7-13(12)18(14)10-11-8-9-21-15(11)16(19)20/h3-4,6-9H,2,5,10H2,1H3,(H,19,20).
What are the key properties of 3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid?
3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 115578490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).