1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine

C14H15N3S — CID 79506524

IUPAC1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cccs2)N1Cc1ccccc1
InChIInChI=1S/C14H15N3S/c15-14-16-9-12(13-7-4-8-18-13)17(14)10-11-5-2-1-3-6-11/h1-8,12H,9-10H2,(H2,15,16)
InChIKeyNMIUWHISEAYQKV-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.62
Rot. Bonds3

About 1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine

1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79506524) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID79506524
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cccs2)N1Cc1ccccc1
InChIInChI=1S/C14H15N3S/c15-14-16-9-12(13-7-4-8-18-13)17(14)10-11-5-2-1-3-6-11/h1-8,12H,9-10H2,(H2,15,16)
InChIKeyNMIUWHISEAYQKV-UHFFFAOYSA-N
XLogP2.62
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine (CID 79506524) is 1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cccs2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is NMIUWHISEAYQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c15-14-16-9-12(13-7-4-8-18-13)17(14)10-11-5-2-1-3-6-11/h1-8,12H,9-10H2,(H2,15,16).
What are the key properties of 1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine?
1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 257.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79506524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).