1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine

C9H9BrClN3S — CID 102836241

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine
SMILESClc1sc(CNCc2cnc[nH]2)cc1Br
InChIInChI=1S/C9H9BrClN3S/c10-8-1-7(15-9(8)11)4-12-2-6-3-13-5-14-6/h1,3,5,12H,2,4H2,(H,13,14)
InChIKeyYVZDZVNUAYRZSI-UHFFFAOYSA-N
MW306.62 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine

1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine (PubChem CID 102836241) has the molecular formula C9H9BrClN3S and a molecular weight of 306.62 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine
PubChem CID102836241
Molecular FormulaC9H9BrClN3S
Molecular Weight306.62 g/mol
Exact Mass304.94
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine
SMILESClc1sc(CNCc2cnc[nH]2)cc1Br
InChIInChI=1S/C9H9BrClN3S/c10-8-1-7(15-9(8)11)4-12-2-6-3-13-5-14-6/h1,3,5,12H,2,4H2,(H,13,14)
InChIKeyYVZDZVNUAYRZSI-UHFFFAOYSA-N
XLogP3.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.62
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine (CID 102836241) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine is Clc1sc(CNCc2cnc[nH]2)cc1Br.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The InChIKey is YVZDZVNUAYRZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3S/c10-8-1-7(15-9(8)11)4-12-2-6-3-13-5-14-6/h1,3,5,12H,2,4H2,(H,13,14).
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine has a molecular weight of 306.62 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine is sourced from PubChem (CID 102836241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).