[5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol

C14H12IN3O — CID 62595630

IUPAC[5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol
SMILESNc1ccc2c(c1)nc(CO)n2-c1ccc(I)cc1
InChIInChI=1S/C14H12IN3O/c15-9-1-4-11(5-2-9)18-13-6-3-10(16)7-12(13)17-14(18)8-19/h1-7,19H,8,16H2
InChIKeyALWYNTZSMWEMOK-UHFFFAOYSA-N
MW365.17 g/mol
LogP2.70
Rot. Bonds2

About [5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol

[5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol (PubChem CID 62595630) has the molecular formula C14H12IN3O and a molecular weight of 365.17 g/mol. Its IUPAC name is [5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol
PubChem CID62595630
Molecular FormulaC14H12IN3O
Molecular Weight365.17 g/mol
Exact Mass365.00
IUPAC Name[5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol
SMILESNc1ccc2c(c1)nc(CO)n2-c1ccc(I)cc1
InChIInChI=1S/C14H12IN3O/c15-9-1-4-11(5-2-9)18-13-6-3-10(16)7-12(13)17-14(18)8-19/h1-7,19H,8,16H2
InChIKeyALWYNTZSMWEMOK-UHFFFAOYSA-N
XLogP2.70
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol?
The IUPAC name of [5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol (CID 62595630) is [5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol is Nc1ccc2c(c1)nc(CO)n2-c1ccc(I)cc1.
What is the InChIKey of [5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol?
The InChIKey is ALWYNTZSMWEMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3O/c15-9-1-4-11(5-2-9)18-13-6-3-10(16)7-12(13)17-14(18)8-19/h1-7,19H,8,16H2.
What are the key properties of [5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol?
[5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol has a molecular weight of 365.17 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 62595630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).