1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine

C15H13ClIN3O — CID 107637356

IUPAC1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2-c1ccc(Cl)cc1I
InChIInChI=1S/C15H13ClIN3O/c1-2-21-13-5-3-4-12-14(13)19-15(18)20(12)11-7-6-9(16)8-10(11)17/h3-8H,2H2,1H3,(H2,18,19)
InChIKeyQDKSEWNDOIFCDA-UHFFFAOYSA-N
MW413.65 g/mol
LogP4.26
Rot. Bonds3

About 1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine

1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine (PubChem CID 107637356) has the molecular formula C15H13ClIN3O and a molecular weight of 413.65 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine
PubChem CID107637356
Molecular FormulaC15H13ClIN3O
Molecular Weight413.65 g/mol
Exact Mass412.98
IUPAC Name1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2-c1ccc(Cl)cc1I
InChIInChI=1S/C15H13ClIN3O/c1-2-21-13-5-3-4-12-14(13)19-15(18)20(12)11-7-6-9(16)8-10(11)17/h3-8H,2H2,1H3,(H2,18,19)
InChIKeyQDKSEWNDOIFCDA-UHFFFAOYSA-N
XLogP4.26
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.65
LogP ≤ 54.26
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-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine
CID 103480612
1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107637379
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine
CID 107575930
1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107637336
4-chloro-1-(2,5-dichlorophenyl)benzimidazol-2-amine
CID 104836825
1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637295
2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide
CID 106346313
1-(2-bromo-5-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 81275061
6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole
CID 115471046
4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 113463958
1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine
CID 102854268

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine?
The IUPAC name of 1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine (CID 107637356) is 1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine is CCOc1cccc2c1nc(N)n2-c1ccc(Cl)cc1I.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine?
The InChIKey is QDKSEWNDOIFCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClIN3O/c1-2-21-13-5-3-4-12-14(13)19-15(18)20(12)11-7-6-9(16)8-10(11)17/h3-8H,2H2,1H3,(H2,18,19).
What are the key properties of 1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine?
1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine has a molecular weight of 413.65 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine is sourced from PubChem (CID 107637356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).