4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine

C12H17N3S — CID 106575204

IUPAC4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
SMILESCc1cn(C(C)Cc2ccc(C)s2)c(N)n1
InChIInChI=1S/C12H17N3S/c1-8-7-15(12(13)14-8)9(2)6-11-5-4-10(3)16-11/h4-5,7,9H,6H2,1-3H3,(H2,13,14)
InChIKeyBLVAWJBSLHFJIL-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.95
Rot. Bonds3

About 4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine

4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine (PubChem CID 106575204) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
PubChem CID106575204
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
SMILESCc1cn(C(C)Cc2ccc(C)s2)c(N)n1
InChIInChI=1S/C12H17N3S/c1-8-7-15(12(13)14-8)9(2)6-11-5-4-10(3)16-11/h4-5,7,9H,6H2,1-3H3,(H2,13,14)
InChIKeyBLVAWJBSLHFJIL-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine (CID 106575204) is 4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine is Cc1cn(C(C)Cc2ccc(C)s2)c(N)n1.
What is the InChIKey of 4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine?
The InChIKey is BLVAWJBSLHFJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8-7-15(12(13)14-8)9(2)6-11-5-4-10(3)16-11/h4-5,7,9H,6H2,1-3H3,(H2,13,14).
What are the key properties of 4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine?
4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine has a molecular weight of 235.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine is sourced from PubChem (CID 106575204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).