4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine

C15H21N3S — CID 106570720

IUPAC4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine
SMILESCCCn1cc(C)nc1NC1CCCc2sccc21
InChIInChI=1S/C15H21N3S/c1-3-8-18-10-11(2)16-15(18)17-13-5-4-6-14-12(13)7-9-19-14/h7,9-10,13H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyPFRMHOSBEIDLKX-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.15
Rot. Bonds4

About 4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine

4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine (PubChem CID 106570720) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine
PubChem CID106570720
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine
SMILESCCCn1cc(C)nc1NC1CCCc2sccc21
InChIInChI=1S/C15H21N3S/c1-3-8-18-10-11(2)16-15(18)17-13-5-4-6-14-12(13)7-9-19-14/h7,9-10,13H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyPFRMHOSBEIDLKX-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine (CID 106570720) is 4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine is CCCn1cc(C)nc1NC1CCCc2sccc21.
What is the InChIKey of 4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine?
The InChIKey is PFRMHOSBEIDLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-8-18-10-11(2)16-15(18)17-13-5-4-6-14-12(13)7-9-19-14/h7,9-10,13H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine?
4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine is sourced from PubChem (CID 106570720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).