5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid

C17H18N2O3 — CID 82144541

IUPAC5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
SMILESCCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C17H18N2O3/c1-2-3-8-16-18-13-6-4-5-7-14(13)19(16)11-12-9-10-15(22-12)17(20)21/h4-7,9-10H,2-3,8,11H2,1H3,(H,20,21)
InChIKeySNJLZQCVCQSDGB-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.72
Rot. Bonds6

About 5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid

5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 82144541) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
PubChem CID82144541
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
SMILESCCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C17H18N2O3/c1-2-3-8-16-18-13-6-4-5-7-14(13)19(16)11-12-9-10-15(22-12)17(20)21/h4-7,9-10H,2-3,8,11H2,1H3,(H,20,21)
InChIKeySNJLZQCVCQSDGB-UHFFFAOYSA-N
XLogP3.72
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
2-[(2-butylbenzimidazol-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 39148045
2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
CID 46784668
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide
CID 19806374
1-ethyl-2-pentylbenzimidazole
CID 3463966
1-benzyl-2-propylbenzimidazole
CID 764560
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 115578490
2-heptyl-1-nonylbenzimidazole
CID 139787766

Frequently Asked Questions

What is the IUPAC name of 5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid (CID 82144541) is 5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid is CCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is SNJLZQCVCQSDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-3-8-16-18-13-6-4-5-7-14(13)19(16)11-12-9-10-15(22-12)17(20)21/h4-7,9-10H,2-3,8,11H2,1H3,(H,20,21).
What are the key properties of 5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid?
5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 82144541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).