[4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine

C8H8ClN3S — CID 82284454

IUPAC[4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine
SMILESNCc1[nH]cnc1-c1ccc(Cl)s1
InChIInChI=1S/C8H8ClN3S/c9-7-2-1-6(13-7)8-5(3-10)11-4-12-8/h1-2,4H,3,10H2,(H,11,12)
InChIKeyWOHLBNGIKQLQKE-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.25
Rot. Bonds2

About [4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine

[4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine (PubChem CID 82284454) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine
PubChem CID82284454
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name[4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine
SMILESNCc1[nH]cnc1-c1ccc(Cl)s1
InChIInChI=1S/C8H8ClN3S/c9-7-2-1-6(13-7)8-5(3-10)11-4-12-8/h1-2,4H,3,10H2,(H,11,12)
InChIKeyWOHLBNGIKQLQKE-UHFFFAOYSA-N
XLogP2.25
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine (CID 82284454) is [4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine is NCc1[nH]cnc1-c1ccc(Cl)s1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine?
The InChIKey is WOHLBNGIKQLQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c9-7-2-1-6(13-7)8-5(3-10)11-4-12-8/h1-2,4H,3,10H2,(H,11,12).
What are the key properties of [4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine?
[4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine has a molecular weight of 213.69 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 82284454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).