6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine

C12H12FN5O — CID 106419732

IUPAC6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
SMILESCc1noc(CCn2c(N)nc3ccc(F)cc32)n1
InChIInChI=1S/C12H12FN5O/c1-7-15-11(19-17-7)4-5-18-10-6-8(13)2-3-9(10)16-12(18)14/h2-3,6H,4-5H2,1H3,(H2,14,16)
InChIKeyOAYUHYXJJNKQHQ-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.69
Rot. Bonds3

About 6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine

6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine (PubChem CID 106419732) has the molecular formula C12H12FN5O and a molecular weight of 261.26 g/mol. Its IUPAC name is 6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
PubChem CID106419732
Molecular FormulaC12H12FN5O
Molecular Weight261.26 g/mol
Exact Mass261.10
IUPAC Name6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
SMILESCc1noc(CCn2c(N)nc3ccc(F)cc32)n1
InChIInChI=1S/C12H12FN5O/c1-7-15-11(19-17-7)4-5-18-10-6-8(13)2-3-9(10)16-12(18)14/h2-3,6H,4-5H2,1H3,(H2,14,16)
InChIKeyOAYUHYXJJNKQHQ-UHFFFAOYSA-N
XLogP1.69
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106419721
5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420320
6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 79757549
6-fluoro-1-pentylbenzimidazol-2-amine
CID 62378390
ethyl 3-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
CID 62376679
6-bromo-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 106419770
5-[2-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420402
4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine
CID 115508797
5-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420298
6-fluoro-1-(2-phenoxyethyl)benzimidazol-2-amine
CID 62376847
5-[2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420407
6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine
CID 62378399

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine (CID 106419732) is 6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine is Cc1noc(CCn2c(N)nc3ccc(F)cc32)n1.
What is the InChIKey of 6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The InChIKey is OAYUHYXJJNKQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O/c1-7-15-11(19-17-7)4-5-18-10-6-8(13)2-3-9(10)16-12(18)14/h2-3,6H,4-5H2,1H3,(H2,14,16).
What are the key properties of 6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine has a molecular weight of 261.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106419732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).