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

C11H14ClN3S — CID 11109088

IUPAC5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline
SMILESCSc1ccc(Cl)cc1NCC1=NCCN1
InChIInChI=1S/C11H14ClN3S/c1-16-10-3-2-8(12)6-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)
InChIKeyZHDIISZEXUGDAJ-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.48
Rot. Bonds4

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

5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline (PubChem CID 11109088) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline.

Molecular Properties

Compound Name5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline
PubChem CID11109088
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline
SMILESCSc1ccc(Cl)cc1NCC1=NCCN1
InChIInChI=1S/C11H14ClN3S/c1-16-10-3-2-8(12)6-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)
InChIKeyZHDIISZEXUGDAJ-UHFFFAOYSA-N
XLogP2.48
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline?
The IUPAC name of 5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline (CID 11109088) is 5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline.
What is the SMILES notation for 5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline?
The canonical SMILES for 5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline is CSc1ccc(Cl)cc1NCC1=NCCN1.
What is the InChIKey of 5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline?
The InChIKey is ZHDIISZEXUGDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-16-10-3-2-8(12)6-9(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 5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline?
5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline has a molecular weight of 255.77 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline is sourced from PubChem (CID 11109088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).