5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine

C15H14IN3O — CID 66080984

IUPAC5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
SMILESCOc1ccc(Cn2c(N)nc3cc(I)ccc32)cc1
InChIInChI=1S/C15H14IN3O/c1-20-12-5-2-10(3-6-12)9-19-14-7-4-11(16)8-13(14)18-15(19)17/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyKSWIWUWHMZLQCJ-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.28
Rot. Bonds3

About 5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine

5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine (PubChem CID 66080984) has the molecular formula C15H14IN3O and a molecular weight of 379.20 g/mol. Its IUPAC name is 5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
PubChem CID66080984
Molecular FormulaC15H14IN3O
Molecular Weight379.20 g/mol
Exact Mass379.02
IUPAC Name5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
SMILESCOc1ccc(Cn2c(N)nc3cc(I)ccc32)cc1
InChIInChI=1S/C15H14IN3O/c1-20-12-5-2-10(3-6-12)9-19-14-7-4-11(16)8-13(14)18-15(19)17/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyKSWIWUWHMZLQCJ-UHFFFAOYSA-N
XLogP3.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.28
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-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661463
5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66086489
1-[(2-chlorophenyl)methyl]-5-iodobenzimidazol-2-amine
CID 66081183
5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 66081189
1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine
CID 106008088
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine
CID 66080809
6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66101378
3-[2-amino-1-[(3-methoxyphenyl)methyl]benzimidazol-5-yl]propanoic acid
CID 11221058
5-iodo-1-(2-pyridin-4-ylethyl)benzimidazol-2-amine
CID 66080794
2-(chloromethyl)-5-iodo-1-[(4-methylphenyl)methyl]benzimidazole
CID 66079632
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-iodobenzimidazol-2-amine
CID 115990863

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine (CID 66080984) is 5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine is COc1ccc(Cn2c(N)nc3cc(I)ccc32)cc1.
What is the InChIKey of 5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
The InChIKey is KSWIWUWHMZLQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O/c1-20-12-5-2-10(3-6-12)9-19-14-7-4-11(16)8-13(14)18-15(19)17/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine has a molecular weight of 379.20 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 66080984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).