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

C11H16ClN3S — CID 45264581

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline;hydrochloride
SMILESCSc1ccccc1NCC1=NCCN1.Cl
InChIInChI=1S/C11H15N3S.ClH/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);1H
InChIKeyOGDPWAJDPLTWOW-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.24
Rot. Bonds4

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

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline;hydrochloride (PubChem CID 45264581) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline;hydrochloride.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline;hydrochloride
PubChem CID45264581
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline;hydrochloride
SMILESCSc1ccccc1NCC1=NCCN1.Cl
InChIInChI=1S/C11H15N3S.ClH/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);1H
InChIKeyOGDPWAJDPLTWOW-UHFFFAOYSA-N
XLogP2.24
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.24
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;hydrochloride?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline;hydrochloride (CID 45264581) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline;hydrochloride.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline;hydrochloride?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline;hydrochloride is CSc1ccccc1NCC1=NCCN1.Cl.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline;hydrochloride?
The InChIKey is OGDPWAJDPLTWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S.ClH/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);1H.
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline;hydrochloride?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline;hydrochloride has a molecular weight of 257.79 g/mol, XLogP of 2.24, 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;hydrochloride is sourced from PubChem (CID 45264581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).