[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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Related Compounds

2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole
CID 14742545
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
4-Benzo[b]thiophen-4-yl-1H-imidazole
CID 10176567
4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-imidazole
CID 9815633
4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837136
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
(3R)-1,1-Dibutyl-3-(4-phenyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c] pyridine
CID 9803491
1H-Imidazole, 5-(6,7-dihydrobenzo[b]thien-4-yl)-
CID 9815610
4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837106
2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine
CID 14660411
N1-((5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl)methyl)-1-phenylethane-1,2-diamine
CID 24803786

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).