1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine

C12H19N3S — CID 79514595

IUPAC1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1ccc(C)s1
InChIInChI=1S/C12H19N3S/c1-4-8(2)15-10(7-14-12(15)13)11-6-5-9(3)16-11/h5-6,8,10H,4,7H2,1-3H3,(H2,13,14)
InChIKeySISRWDCTFYCTAY-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.53
Rot. Bonds3

About 1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine

1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79514595) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79514595
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1ccc(C)s1
InChIInChI=1S/C12H19N3S/c1-4-8(2)15-10(7-14-12(15)13)11-6-5-9(3)16-11/h5-6,8,10H,4,7H2,1-3H3,(H2,13,14)
InChIKeySISRWDCTFYCTAY-UHFFFAOYSA-N
XLogP2.53
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine (CID 79514595) is 1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine is CCC(C)N1C(N)=NCC1c1ccc(C)s1.
What is the InChIKey of 1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is SISRWDCTFYCTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-4-8(2)15-10(7-14-12(15)13)11-6-5-9(3)16-11/h5-6,8,10H,4,7H2,1-3H3,(H2,13,14).
What are the key properties of 1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 237.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).