5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine

C12H12IN5O — CID 106419713

IUPAC5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCc1nc(CCn2c(N)nc3cc(I)ccc32)no1
InChIInChI=1S/C12H12IN5O/c1-7-15-11(17-19-7)4-5-18-10-3-2-8(13)6-9(10)16-12(18)14/h2-3,6H,4-5H2,1H3,(H2,14,16)
InChIKeyFUZFLHJKSOIIGM-UHFFFAOYSA-N
MW369.17 g/mol
LogP2.16
Rot. Bonds3

About 5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine

5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine (PubChem CID 106419713) has the molecular formula C12H12IN5O and a molecular weight of 369.17 g/mol. Its IUPAC name is 5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
PubChem CID106419713
Molecular FormulaC12H12IN5O
Molecular Weight369.17 g/mol
Exact Mass369.01
IUPAC Name5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCc1nc(CCn2c(N)nc3cc(I)ccc32)no1
InChIInChI=1S/C12H12IN5O/c1-7-15-11(17-19-7)4-5-18-10-3-2-8(13)6-9(10)16-12(18)14/h2-3,6H,4-5H2,1H3,(H2,14,16)
InChIKeyFUZFLHJKSOIIGM-UHFFFAOYSA-N
XLogP2.16
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(1-chloroethyl)-5-iodobenzimidazol-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420145
3-[[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 106406837
5-iodo-1-(2-pyridin-4-ylethyl)benzimidazol-2-amine
CID 66080794
1-[2-(5-chlorothiophen-2-yl)ethyl]-5-iodobenzimidazol-2-amine
CID 106036111
1-[2-(3,5-difluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66082390
7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106419701
1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine
CID 66080783
ethyl 3-(2-amino-5-iodobenzimidazol-1-yl)propanoate
CID 66080213
1-(3-ethylsulfanylpropyl)-5-iodobenzimidazol-2-amine
CID 114248498
3-[2-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420185
5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine
CID 66080614
3-[2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420206

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine (CID 106419713) is 5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine is Cc1nc(CCn2c(N)nc3cc(I)ccc32)no1.
What is the InChIKey of 5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The InChIKey is FUZFLHJKSOIIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN5O/c1-7-15-11(17-19-7)4-5-18-10-3-2-8(13)6-9(10)16-12(18)14/h2-3,6H,4-5H2,1H3,(H2,14,16).
What are the key properties of 5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine has a molecular weight of 369.17 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106419713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).