1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid

C13H13FN2O2 — CID 124926451

IUPAC1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2cccc(F)c2n1CC1CCC1
InChIInChI=1S/C13H13FN2O2/c14-9-5-2-6-10-11(9)16(7-8-3-1-4-8)12(15-10)13(17)18/h2,5-6,8H,1,3-4,7H2,(H,17,18)
InChIKeyITZUZABFZNRHMV-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.67
Rot. Bonds3

About 1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid

1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid (PubChem CID 124926451) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid
PubChem CID124926451
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2cccc(F)c2n1CC1CCC1
InChIInChI=1S/C13H13FN2O2/c14-9-5-2-6-10-11(9)16(7-8-3-1-4-8)12(15-10)13(17)18/h2,5-6,8H,1,3-4,7H2,(H,17,18)
InChIKeyITZUZABFZNRHMV-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
CID 105492323
2-[1-(cyclobutylmethyl)-6,7-difluorobenzimidazol-2-yl]sulfanylacetic acid
CID 62531701
1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid
CID 68967350
5-fluoro-1-(oxan-4-ylmethyl)benzimidazole-2-carboxylic acid
CID 124926519
[1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine
CID 105491326
3-(cyclopropylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 112577070
7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid
CID 84794292
2-[1-(cyclopropylmethyl)-7-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 115552054
2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
CID 115552971
2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole
CID 124741801
2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 43298853
7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine
CID 43662069

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid?
The IUPAC name of 1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid (CID 124926451) is 1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid.
What is the SMILES notation for 1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid?
The canonical SMILES for 1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid is O=C(O)c1nc2cccc(F)c2n1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid?
The InChIKey is ITZUZABFZNRHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-9-5-2-6-10-11(9)16(7-8-3-1-4-8)12(15-10)13(17)18/h2,5-6,8H,1,3-4,7H2,(H,17,18).
What are the key properties of 1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid?
1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid is sourced from PubChem (CID 124926451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).