5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine

C11H14IN3O — CID 66081185

IUPAC5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
SMILESCOCC(C)n1c(N)nc2cc(I)ccc21
InChIInChI=1S/C11H14IN3O/c1-7(6-16-2)15-10-4-3-8(12)5-9(10)14-11(15)13/h3-5,7H,6H2,1-2H3,(H2,13,14)
InChIKeyWEAAXQZQPUWTBE-UHFFFAOYSA-N
MW331.16 g/mol
LogP2.43
Rot. Bonds3

About 5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine

5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine (PubChem CID 66081185) has the molecular formula C11H14IN3O and a molecular weight of 331.16 g/mol. Its IUPAC name is 5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
PubChem CID66081185
Molecular FormulaC11H14IN3O
Molecular Weight331.16 g/mol
Exact Mass331.02
IUPAC Name5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
SMILESCOCC(C)n1c(N)nc2cc(I)ccc21
InChIInChI=1S/C11H14IN3O/c1-7(6-16-2)15-10-4-3-8(12)5-9(10)14-11(15)13/h3-5,7H,6H2,1-2H3,(H2,13,14)
InChIKeyWEAAXQZQPUWTBE-UHFFFAOYSA-N
XLogP2.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 52.43
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

5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 43661479
5-iodo-1-pentan-2-ylbenzimidazol-2-amine
CID 66081380
ethyl 2-(2-amino-5-iodobenzimidazol-1-yl)propanoate
CID 66080797
1-(1-methoxypropan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507197
2-(chloromethyl)-5-iodo-1-(4-methoxybutan-2-yl)benzimidazole
CID 66082460
5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine
CID 66081206
5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine
CID 141375297
5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine
CID 66081984
5-bromo-2-(chloromethyl)-1-(1-methoxypropan-2-yl)benzimidazole
CID 43660026
2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole
CID 66080675
6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 55086320
5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66082189

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine?
The IUPAC name of 5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine (CID 66081185) is 5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine is COCC(C)n1c(N)nc2cc(I)ccc21.
What is the InChIKey of 5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine?
The InChIKey is WEAAXQZQPUWTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O/c1-7(6-16-2)15-10-4-3-8(12)5-9(10)14-11(15)13/h3-5,7H,6H2,1-2H3,(H2,13,14).
What are the key properties of 5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine?
5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine has a molecular weight of 331.16 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 66081185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).