4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride

C11H9Br2ClN2S — CID 42614722

IUPAC4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(-c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C11H8Br2N2S.ClH/c12-8-5-9(16-10(8)13)6-1-3-7(4-2-6)11(14)15;/h1-5H,(H3,14,15);1H
InChIKeyMRFRJFNJPNIMCZ-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.65
Rot. Bonds2

About 4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride

4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride (PubChem CID 42614722) has the molecular formula C11H9Br2ClN2S and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride
PubChem CID42614722
Molecular FormulaC11H9Br2ClN2S
Molecular Weight396.54 g/mol
Exact Mass393.85
IUPAC Name4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(-c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C11H8Br2N2S.ClH/c12-8-5-9(16-10(8)13)6-1-3-7(4-2-6)11(14)15;/h1-5H,(H3,14,15);1H
InChIKeyMRFRJFNJPNIMCZ-UHFFFAOYSA-N
XLogP4.65
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 11689909
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
4-[5-[5-(4-chlorophenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 164946289
3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 11153113
2-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide;2-hydroxypropanoic acid
CID 159604373
4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride
CID 16658981
6,7-dibromonaphthalene-2-carboximidamide;hydrochloride
CID 121232084
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene
CID 53441536
ethane;4-phenylbenzenecarboximidamide
CID 91221015
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
3-[3-(4-carbamimidoylphenyl)-1,2-oxazol-5-yl]-4-chlorobenzenecarboximidamide;trihydrochloride
CID 90664503

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride (CID 42614722) is 4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(-c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride?
The InChIKey is MRFRJFNJPNIMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2S.ClH/c12-8-5-9(16-10(8)13)6-1-3-7(4-2-6)11(14)15;/h1-5H,(H3,14,15);1H.
What are the key properties of 4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride?
4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride has a molecular weight of 396.54 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 42614722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).