4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid

C21H17FN2O2 — CID 45381970

IUPAC4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid
SMILESO=C(O)CC(Cc1nc2ccc(F)cc2[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C21H17FN2O2/c22-17-7-8-18-19(12-17)24-20(23-18)10-16(11-21(25)26)15-6-5-13-3-1-2-4-14(13)9-15/h1-9,12,16H,10-11H2,(H,23,24)(H,25,26)
InChIKeyHXEOKFGPBYILLU-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.66
Rot. Bonds5

About 4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid

4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid (PubChem CID 45381970) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid.

Molecular Properties

Compound Name4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid
PubChem CID45381970
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid
SMILESO=C(O)CC(Cc1nc2ccc(F)cc2[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C21H17FN2O2/c22-17-7-8-18-19(12-17)24-20(23-18)10-16(11-21(25)26)15-6-5-13-3-1-2-4-14(13)9-15/h1-9,12,16H,10-11H2,(H,23,24)(H,25,26)
InChIKeyHXEOKFGPBYILLU-UHFFFAOYSA-N
XLogP4.66
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-4-(6-fluoro-1H-benzimidazol-2-yl)butanoic acid;hydrochloride
CID 45380883
4-(6-chloro-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanoic acid;hydrochloride
CID 45381424
3-(4-chlorophenyl)-4-(5,6-difluoro-1H-benzimidazol-2-yl)butanoic acid
CID 45380983
4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide
CID 45381320
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole
CID 69480611
4-(1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 12789249
3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid
CID 91796999
3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one
CID 122399303
6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole
CID 60978250
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
2-[(6-fluoro-1H-benzimidazol-2-yl)methylsulfanyl]butanoic acid
CID 82337160

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid?
The IUPAC name of 4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid (CID 45381970) is 4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid.
What is the SMILES notation for 4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid?
The canonical SMILES for 4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid is O=C(O)CC(Cc1nc2ccc(F)cc2[nH]1)c1ccc2ccccc2c1.
What is the InChIKey of 4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid?
The InChIKey is HXEOKFGPBYILLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-17-7-8-18-19(12-17)24-20(23-18)10-16(11-21(25)26)15-6-5-13-3-1-2-4-14(13)9-15/h1-9,12,16H,10-11H2,(H,23,24)(H,25,26).
What are the key properties of 4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid?
4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid has a molecular weight of 348.38 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid is sourced from PubChem (CID 45381970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).