1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine

C16H21FN4 — CID 103593055

IUPAC1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2C1CCN2CCCC2C1
InChIInChI=1S/C16H21FN4/c1-10-7-15-14(9-13(10)17)19-16(18)21(15)12-4-6-20-5-2-3-11(20)8-12/h7,9,11-12H,2-6,8H2,1H3,(H2,18,19)
InChIKeyPGIOBRVZNPVDGQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.87
Rot. Bonds1

About 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine (PubChem CID 103593055) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine
PubChem CID103593055
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2C1CCN2CCCC2C1
InChIInChI=1S/C16H21FN4/c1-10-7-15-14(9-13(10)17)19-16(18)21(15)12-4-6-20-5-2-3-11(20)8-12/h7,9,11-12H,2-6,8H2,1H3,(H2,18,19)
InChIKeyPGIOBRVZNPVDGQ-UHFFFAOYSA-N
XLogP2.87
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine with MolForge

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Related Compounds

5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine
CID 103593149
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 103592912
1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592630
2-(chloromethyl)-1-cyclobutyl-5-fluoro-6-methylbenzimidazole
CID 103593655
6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine
CID 66101576
5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine
CID 66087861
5-bromo-1-cyclooctyl-6-fluorobenzimidazol-2-amine
CID 66086490
5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66085937
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077934
5-bromo-6-fluoro-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine
CID 66086694
6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine
CID 66101969
1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592692

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine (CID 103593055) is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2C1CCN2CCCC2C1.
What is the InChIKey of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine?
The InChIKey is PGIOBRVZNPVDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-10-7-15-14(9-13(10)17)19-16(18)21(15)12-4-6-20-5-2-3-11(20)8-12/h7,9,11-12H,2-6,8H2,1H3,(H2,18,19).
What are the key properties of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine?
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine has a molecular weight of 288.37 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 103593055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).