2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid

C12H11FN2O2 — CID 55067796

IUPAC2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C12H11FN2O2/c13-7-1-4-9-10(5-7)15(8-2-3-8)11(14-9)6-12(16)17/h1,4-5,8H,2-3,6H2,(H,16,17)
InChIKeyPMVAFRCPBLBDBN-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.14
Rot. Bonds3

About 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid

2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid (PubChem CID 55067796) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
PubChem CID55067796
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C12H11FN2O2/c13-7-1-4-9-10(5-7)15(8-2-3-8)11(14-9)6-12(16)17/h1,4-5,8H,2-3,6H2,(H,16,17)
InChIKeyPMVAFRCPBLBDBN-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79873001
4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-methylbutanoic acid
CID 62932786
1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine
CID 55067892
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
2-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methylsulfanyl]acetic acid
CID 104570568
2-(chloromethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377904
6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine
CID 62378467
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057
2-(chloromethyl)-1-(3,4-dimethylcyclohexyl)-6-fluorobenzimidazole
CID 64743874
4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62376570
2-(chloromethyl)-6-fluoro-1-(oxolan-3-yl)benzimidazole
CID 80712629

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid (CID 55067796) is 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid is O=C(O)Cc1nc2ccc(F)cc2n1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid?
The InChIKey is PMVAFRCPBLBDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-7-1-4-9-10(5-7)15(8-2-3-8)11(14-9)6-12(16)17/h1,4-5,8H,2-3,6H2,(H,16,17).
What are the key properties of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid?
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid has a molecular weight of 234.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid is sourced from PubChem (CID 55067796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).