2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid

C11H11FN2O3 — CID 62376035

IUPAC2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid
SMILESCn1c(COCC(=O)O)nc2ccc(F)cc21
InChIInChI=1S/C11H11FN2O3/c1-14-9-4-7(12)2-3-8(9)13-10(14)5-17-6-11(15)16/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyGUWWANARPIGIPZ-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.31
Rot. Bonds4

About 2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid

2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid (PubChem CID 62376035) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid
PubChem CID62376035
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid
SMILESCn1c(COCC(=O)O)nc2ccc(F)cc21
InChIInChI=1S/C11H11FN2O3/c1-14-9-4-7(12)2-3-8(9)13-10(14)5-17-6-11(15)16/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyGUWWANARPIGIPZ-UHFFFAOYSA-N
XLogP1.31
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
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)methyl]cyclohexane-1-carboxylic acid
CID 62377222
3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119883587
2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid
CID 63675428
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192
2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119883563
3-[[6-(4-fluoro-2-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662065
(2S,3S)-2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]-3-methylpentanoic acid
CID 122050564
2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
CID 83849999

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid?
The IUPAC name of 2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid (CID 62376035) is 2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid is Cn1c(COCC(=O)O)nc2ccc(F)cc21.
What is the InChIKey of 2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid?
The InChIKey is GUWWANARPIGIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-14-9-4-7(12)2-3-8(9)13-10(14)5-17-6-11(15)16/h2-4H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid?
2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid has a molecular weight of 238.22 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid is sourced from PubChem (CID 62376035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).