N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine

C12H15N3S — CID 106556634

IUPACN-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine
SMILESCCNc1nccn1-c1ccc(SC)cc1
InChIInChI=1S/C12H15N3S/c1-3-13-12-14-8-9-15(12)10-4-6-11(16-2)7-5-10/h4-9H,3H2,1-2H3,(H,13,14)
InChIKeyLAQDVXXQEZTCKG-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.03
Rot. Bonds4

About N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine

N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine (PubChem CID 106556634) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine
PubChem CID106556634
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine
SMILESCCNc1nccn1-c1ccc(SC)cc1
InChIInChI=1S/C12H15N3S/c1-3-13-12-14-8-9-15(12)10-4-6-11(16-2)7-5-10/h4-9H,3H2,1-2H3,(H,13,14)
InChIKeyLAQDVXXQEZTCKG-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063549
N-ethyl-1-(2-fluoro-5-methylphenyl)imidazol-2-amine
CID 106561073
1-(2-bromophenyl)-N-ethylimidazol-2-amine
CID 106558573
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106556992
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine
CID 106562661
1-(2-bromo-4-fluorophenyl)-N-ethylimidazol-2-amine
CID 106560730
N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine
CID 106558157
1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole
CID 167446542
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine
CID 106579501
1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine
CID 106554381
1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106556263

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine?
The IUPAC name of N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine (CID 106556634) is N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine?
The canonical SMILES for N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine is CCNc1nccn1-c1ccc(SC)cc1.
What is the InChIKey of N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine?
The InChIKey is LAQDVXXQEZTCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-13-12-14-8-9-15(12)10-4-6-11(16-2)7-5-10/h4-9H,3H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine?
N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine is sourced from PubChem (CID 106556634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).