N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline

C11H14FN3S — CID 11097789

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline
SMILESCSc1cc(F)ccc1NCC1=NCCN1
InChIInChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)
InChIKeyXBBHVMXFPPVGMX-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.96
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline (PubChem CID 11097789) has the molecular formula C11H14FN3S and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline
PubChem CID11097789
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline
SMILESCSc1cc(F)ccc1NCC1=NCCN1
InChIInChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)
InChIKeyXBBHVMXFPPVGMX-UHFFFAOYSA-N
XLogP1.96
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline chloride
CID 11097788
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoro-6-methylsulfanylaniline
CID 10871952
2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-3-methylaniline
CID 14878249
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfanylaniline;hydrochloride
CID 45260704
3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline
CID 14878257
N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-fluoro-2-methylsulfanylaniline chloride
CID 11140346
2-[(5-fluoro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 58951723
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine
CID 25168454
3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride
CID 70158746
2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 23617938
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline
CID 134156190
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline
CID 22493387

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline (CID 11097789) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline is CSc1cc(F)ccc1NCC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline?
The InChIKey is XBBHVMXFPPVGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline has a molecular weight of 239.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline is sourced from PubChem (CID 11097789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).