4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid

C12H13FN2O2 — CID 54920192

IUPAC4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
SMILESCn1c(CCCC(=O)O)nc2cc(F)ccc21
InChIInChI=1S/C12H13FN2O2/c1-15-10-6-5-8(13)7-9(10)14-11(15)3-2-4-12(16)17/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyLCQKOSJISWDLLH-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.12
Rot. Bonds4

About 4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid

4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid (PubChem CID 54920192) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
PubChem CID54920192
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
SMILESCn1c(CCCC(=O)O)nc2cc(F)ccc21
InChIInChI=1S/C12H13FN2O2/c1-15-10-6-5-8(13)7-9(10)14-11(15)3-2-4-12(16)17/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyLCQKOSJISWDLLH-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid
CID 6488083
4-[5-(dipropylamino)-1-methylbenzimidazol-2-yl]butanoic acid
CID 130284945
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
3-(5-tert-butyl-1-methylbenzimidazol-2-yl)propanoic acid
CID 84638243
3-[5-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]propanoic acid
CID 82331977
2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 119882375
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
4-[5-[2-[4-[5-[bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoyloxy]ethyl-(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid
CID 71260312
2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071138
2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 43661245
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236
deuterio 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
CID 25207801

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid?
The IUPAC name of 4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid (CID 54920192) is 4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid?
The canonical SMILES for 4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid is Cn1c(CCCC(=O)O)nc2cc(F)ccc21.
What is the InChIKey of 4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid?
The InChIKey is LCQKOSJISWDLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-15-10-6-5-8(13)7-9(10)14-11(15)3-2-4-12(16)17/h5-7H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid?
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid has a molecular weight of 236.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid is sourced from PubChem (CID 54920192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).