4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid

C15H18F2N2O2 — CID 82150067

IUPAC4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid
SMILESCCCCc1nc2cc(F)c(F)cc2n1CCCC(=O)O
InChIInChI=1S/C15H18F2N2O2/c1-2-3-5-14-18-12-8-10(16)11(17)9-13(12)19(14)7-4-6-15(20)21/h8-9H,2-7H2,1H3,(H,20,21)
InChIKeyBTVJBXWPYCPSPI-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.52
Rot. Bonds7

About 4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid

4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid (PubChem CID 82150067) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid
PubChem CID82150067
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid
SMILESCCCCc1nc2cc(F)c(F)cc2n1CCCC(=O)O
InChIInChI=1S/C15H18F2N2O2/c1-2-3-5-14-18-12-8-10(16)11(17)9-13(12)19(14)7-4-6-15(20)21/h8-9H,2-7H2,1H3,(H,20,21)
InChIKeyBTVJBXWPYCPSPI-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5,6-difluoro-2-(4-hydroxybutyl)benzimidazol-1-yl]propanoic acid
CID 79193832
N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide
CID 82150236
4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid
CID 82359205
3-[5,6-difluoro-2-(2-methoxyethyl)benzimidazol-1-yl]propanoic acid
CID 62805309
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82146076
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid
CID 82150037
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propanethioamide
CID 82149890
3-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 62803527
4-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]butanoic acid
CID 82311942
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192
3-[2-(cyclobutylmethyl)-5,6-difluorobenzimidazol-1-yl]propanoic acid
CID 103164563

Frequently Asked Questions

What is the IUPAC name of 4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid?
The IUPAC name of 4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid (CID 82150067) is 4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid?
The canonical SMILES for 4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid is CCCCc1nc2cc(F)c(F)cc2n1CCCC(=O)O.
What is the InChIKey of 4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid?
The InChIKey is BTVJBXWPYCPSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-2-3-5-14-18-12-8-10(16)11(17)9-13(12)19(14)7-4-6-15(20)21/h8-9H,2-7H2,1H3,(H,20,21).
What are the key properties of 4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid?
4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid has a molecular weight of 296.32 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid is sourced from PubChem (CID 82150067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).