2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine

C12H18FN3 — CID 83966721

IUPAC2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine
SMILESCC1CCc2nc3n(c2C1)CC(F)CC3N
InChIInChI=1S/C12H18FN3/c1-7-2-3-10-11(4-7)16-6-8(13)5-9(14)12(16)15-10/h7-9H,2-6,14H2,1H3
InChIKeyQZLMJUUIZHQDHJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.75
Rot. Bonds

About 2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine

2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine (PubChem CID 83966721) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine.

Molecular Properties

Compound Name2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine
PubChem CID83966721
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine
SMILESCC1CCc2nc3n(c2C1)CC(F)CC3N
InChIInChI=1S/C12H18FN3/c1-7-2-3-10-11(4-7)16-6-8(13)5-9(14)12(16)15-10/h7-9H,2-6,14H2,1H3
InChIKeyQZLMJUUIZHQDHJ-UHFFFAOYSA-N
XLogP1.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine with MolForge

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Related Compounds

1-(1-Ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanamine--hydrogen chloride (1/2)
CID 3024563
Urea, 1-((4,5,6,7-tetrahydro-1-ethylbenzimidazol-5-yl)methyl)-3-isopropyl-2-thio-
CID 3063048
Urea, N-((1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methyl)-N'-(1-methylethyl)-
CID 3063049
Guanidine, N-cyano-N'-((1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methyl)-N''-methyl-
CID 3063051
1,8,11-Triazatricyclo(7.4.0.0,2,7)trideca-2(7),8-diene hydrochloride
CID 137951779
1-methyl-4-(3-methyl-5H,6H,7H,8H-imidazo(1,5-a)pyrazin-1-yl)piperidine dihydrochloride
CID 145866940
1-[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 132390085
(1-Ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine
CID 3024564
1,8,11-Triazatricyclo[7.4.0.0,2,7]trideca-2(7),8-diene
CID 63034548
1-Cyclopentyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 141185789
5-Butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole
CID 174754338
1-[(4-Methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856976

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine?
The IUPAC name of 2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine (CID 83966721) is 2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine.
What is the SMILES notation for 2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine?
The canonical SMILES for 2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine is CC1CCc2nc3n(c2C1)CC(F)CC3N.
What is the InChIKey of 2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine?
The InChIKey is QZLMJUUIZHQDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-7-2-3-10-11(4-7)16-6-8(13)5-9(14)12(16)15-10/h7-9H,2-6,14H2,1H3.
What are the key properties of 2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine?
2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine has a molecular weight of 223.29 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine is sourced from PubChem (CID 83966721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).