5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine

C12H13ClFN3O — CID 82729176

IUPAC5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
SMILESCC1OCCC1n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C12H13ClFN3O/c1-6-10(2-3-18-6)17-11-5-8(14)7(13)4-9(11)16-12(17)15/h4-6,10H,2-3H2,1H3,(H2,15,16)
InChIKeyACCLRPLEPOXWIE-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.76
Rot. Bonds1

About 5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine

5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine (PubChem CID 82729176) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
PubChem CID82729176
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
SMILESCC1OCCC1n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C12H13ClFN3O/c1-6-10(2-3-18-6)17-11-5-8(14)7(13)4-9(11)16-12(17)15/h4-6,10H,2-3H2,1H3,(H2,15,16)
InChIKeyACCLRPLEPOXWIE-UHFFFAOYSA-N
XLogP2.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82728094
5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82729284
5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine
CID 66079071
4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82727870
5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66078877
5-iodo-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82729283
7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82728859
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077934
5-chloro-1-(2,6-dimethylpiperidin-1-yl)-6-fluorobenzimidazol-2-amine
CID 83018266
5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine
CID 66077538
1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101388
2-(2-chloroethyl)-5-fluoro-1-(2-methyloxolan-3-yl)benzimidazole
CID 82728865

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine (CID 82729176) is 5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine is CC1OCCC1n1c(N)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The InChIKey is ACCLRPLEPOXWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c1-6-10(2-3-18-6)17-11-5-8(14)7(13)4-9(11)16-12(17)15/h4-6,10H,2-3H2,1H3,(H2,15,16).
What are the key properties of 5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine has a molecular weight of 269.71 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 82729176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).