N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine

C12H15N3S — CID 106849874

IUPACN-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(-c2ccc(SC)cc2)[nH]1
InChIInChI=1S/C12H15N3S/c1-13-7-10-8-14-12(15-10)9-3-5-11(16-2)6-4-9/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyDHVYRWGQRCCSRZ-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.52
Rot. Bonds4

About N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine

N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine (PubChem CID 106849874) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine
PubChem CID106849874
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(-c2ccc(SC)cc2)[nH]1
InChIInChI=1S/C12H15N3S/c1-13-7-10-8-14-12(15-10)9-3-5-11(16-2)6-4-9/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyDHVYRWGQRCCSRZ-UHFFFAOYSA-N
XLogP2.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 55178244
1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 63108684
1-[2-(2,6-dimethyl-4-pyridinyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 107504565
N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 106849877
N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 106849875
N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109262
N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride
CID 158284704
1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 63108953
N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109316
[2-(4-fluorophenyl)-1H-imidazol-5-yl]methanamine
CID 63108865
[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879210
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine (CID 106849874) is N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine is CNCc1cnc(-c2ccc(SC)cc2)[nH]1.
What is the InChIKey of N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is DHVYRWGQRCCSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-13-7-10-8-14-12(15-10)9-3-5-11(16-2)6-4-9/h3-6,8,13H,7H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine?
N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 233.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 106849874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).