[1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine

C15H15N3S — CID 116882144

IUPAC[1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESNCC1(c2ncc(-c3csc4ccccc34)[nH]2)CC1
InChIInChI=1S/C15H15N3S/c16-9-15(5-6-15)14-17-7-12(18-14)11-8-19-13-4-2-1-3-10(11)13/h1-4,7-8H,5-6,9,16H2,(H,17,18)
InChIKeyUQYXLIOSBGZEJM-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.28
Rot. Bonds3

About [1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine

[1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (PubChem CID 116882144) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
PubChem CID116882144
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name[1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESNCC1(c2ncc(-c3csc4ccccc34)[nH]2)CC1
InChIInChI=1S/C15H15N3S/c16-9-15(5-6-15)14-17-7-12(18-14)11-8-19-13-4-2-1-3-10(11)13/h1-4,7-8H,5-6,9,16H2,(H,17,18)
InChIKeyUQYXLIOSBGZEJM-UHFFFAOYSA-N
XLogP3.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (CID 116882144) is [1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is NCC1(c2ncc(-c3csc4ccccc34)[nH]2)CC1.
What is the InChIKey of [1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The InChIKey is UQYXLIOSBGZEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-9-15(5-6-15)14-17-7-12(18-14)11-8-19-13-4-2-1-3-10(11)13/h1-4,7-8H,5-6,9,16H2,(H,17,18).
What are the key properties of [1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
[1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine has a molecular weight of 269.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116882144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).