1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine

C12H9BrIN3S — CID 66080809

IUPAC1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)ccc2n1Cc1ccc(Br)s1
InChIInChI=1S/C12H9BrIN3S/c13-11-4-2-8(18-11)6-17-10-3-1-7(14)5-9(10)16-12(17)15/h1-5H,6H2,(H2,15,16)
InChIKeyUGSQBVVAHQTORQ-UHFFFAOYSA-N
MW434.10 g/mol
LogP4.10
Rot. Bonds2

About 1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine

1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine (PubChem CID 66080809) has the molecular formula C12H9BrIN3S and a molecular weight of 434.10 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine
PubChem CID66080809
Molecular FormulaC12H9BrIN3S
Molecular Weight434.10 g/mol
Exact Mass432.87
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)ccc2n1Cc1ccc(Br)s1
InChIInChI=1S/C12H9BrIN3S/c13-11-4-2-8(18-11)6-17-10-3-1-7(14)5-9(10)16-12(17)15/h1-5H,6H2,(H2,15,16)
InChIKeyUGSQBVVAHQTORQ-UHFFFAOYSA-N
XLogP4.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.10
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-2-(chloromethyl)-5-iodobenzimidazole
CID 66082262
1-[(5-bromothiophen-2-yl)methyl]-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66079891
1-[(5-bromothiophen-2-yl)methyl]-5,6-dimethoxybenzimidazol-2-amine
CID 83003457
1-[2-(5-chlorothiophen-2-yl)ethyl]-5-iodobenzimidazol-2-amine
CID 106036111
1-[(2-chlorophenyl)methyl]-5-iodobenzimidazol-2-amine
CID 66081183
5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66080984
1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine
CID 106008088
5-iodo-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 66080022
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-iodobenzimidazol-2-amine
CID 115990863
1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine
CID 106036159
5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106419713
5-iodo-1-(2-pyridin-4-ylethyl)benzimidazol-2-amine
CID 66080794

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine (CID 66080809) is 1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine is Nc1nc2cc(I)ccc2n1Cc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine?
The InChIKey is UGSQBVVAHQTORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrIN3S/c13-11-4-2-8(18-11)6-17-10-3-1-7(14)5-9(10)16-12(17)15/h1-5H,6H2,(H2,15,16).
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine?
1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine has a molecular weight of 434.10 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66080809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).