1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine

C15H21N3S — CID 107647476

IUPAC1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1ccccc1SC
InChIInChI=1S/C15H21N3S/c1-4-5-10-18-11-12(2)16-15(18)17-13-8-6-7-9-14(13)19-3/h6-9,11H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyOSTHGWHQFHBXFL-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.46
Rot. Bonds6

About 1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine

1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine (PubChem CID 107647476) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine
PubChem CID107647476
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1ccccc1SC
InChIInChI=1S/C15H21N3S/c1-4-5-10-18-11-12(2)16-15(18)17-13-8-6-7-9-14(13)19-3/h6-9,11H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyOSTHGWHQFHBXFL-UHFFFAOYSA-N
XLogP4.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-(2-methoxyphenyl)-4-methylimidazol-2-amine
CID 106555679
1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556158
1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
CID 106560288
1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570733
1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106560600
1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106578585
1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106557792
1-butyl-4-methyl-N-(2,4,6-trifluorophenyl)imidazol-2-amine
CID 106575756
1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106570580
1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine
CID 106576255
1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine
CID 106561131
1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566734

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine?
The IUPAC name of 1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine (CID 107647476) is 1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine?
The canonical SMILES for 1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine is CCCCn1cc(C)nc1Nc1ccccc1SC.
What is the InChIKey of 1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine?
The InChIKey is OSTHGWHQFHBXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-5-10-18-11-12(2)16-15(18)17-13-8-6-7-9-14(13)19-3/h6-9,11H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of 1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine?
1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine is sourced from PubChem (CID 107647476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).