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

C11H15N3S — CID 11108001

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline
SMILESCSc1ccccc1NCC1=NCCN1
InChIInChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
InChIKeyYGIWTZGEYHABOR-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.82
Rot. Bonds4

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

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline (PubChem CID 11108001) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline
PubChem CID11108001
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline
SMILESCSc1ccccc1NCC1=NCCN1
InChIInChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
InChIKeyYGIWTZGEYHABOR-UHFFFAOYSA-N
XLogP1.82
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline (CID 11108001) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline is CSc1ccccc1NCC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline?
The InChIKey is YGIWTZGEYHABOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline has a molecular weight of 221.33 g/mol, XLogP of 1.82, 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)-2-methylsulfanylaniline is sourced from PubChem (CID 11108001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).