1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid

C16H19FN2O2 — CID 62377222

IUPAC1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCn1c(CC2(C(=O)O)CCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C16H19FN2O2/c1-19-13-9-11(17)5-6-12(13)18-14(19)10-16(15(20)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,20,21)
InChIKeyAUNGPUUDQFPNJL-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.29
Rot. Bonds3

About 1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid

1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 62377222) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID62377222
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCn1c(CC2(C(=O)O)CCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C16H19FN2O2/c1-19-13-9-11(17)5-6-12(13)18-14(19)10-16(15(20)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,20,21)
InChIKeyAUNGPUUDQFPNJL-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 60783556
2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071138
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 81455939
2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid
CID 62376035
4-(6-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutanoic acid
CID 62934477
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253
2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 56804714
1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672416
(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119883529

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid (CID 62377222) is 1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid is Cn1c(CC2(C(=O)O)CCCCC2)nc2ccc(F)cc21.
What is the InChIKey of 1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is AUNGPUUDQFPNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-19-13-9-11(17)5-6-12(13)18-14(19)10-16(15(20)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,20,21).
What are the key properties of 1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62377222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).