1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine

C14H10ClFIN3O — CID 107622311

IUPAC1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3cc(I)c(F)cc32)ccc1Cl
InChIInChI=1S/C14H10ClFIN3O/c1-21-13-4-7(2-3-8(13)15)20-12-5-9(16)10(17)6-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyBPPNSFCWUXUFNZ-UHFFFAOYSA-N
MW417.61 g/mol
LogP4.01
Rot. Bonds2

About 1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine

1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine (PubChem CID 107622311) has the molecular formula C14H10ClFIN3O and a molecular weight of 417.61 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
PubChem CID107622311
Molecular FormulaC14H10ClFIN3O
Molecular Weight417.61 g/mol
Exact Mass416.95
IUPAC Name1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3cc(I)c(F)cc32)ccc1Cl
InChIInChI=1S/C14H10ClFIN3O/c1-21-13-4-7(2-3-8(13)15)20-12-5-9(16)10(17)6-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyBPPNSFCWUXUFNZ-UHFFFAOYSA-N
XLogP4.01
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.61
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 107622297
1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66100981
1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077160
5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 82859589
1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101395
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291
1-(1,3-benzodioxol-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66099411
1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine
CID 114840209
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135
1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 43661963
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107791621

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine (CID 107622311) is 1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine is COc1cc(-n2c(N)nc3cc(I)c(F)cc32)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The InChIKey is BPPNSFCWUXUFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFIN3O/c1-21-13-4-7(2-3-8(13)15)20-12-5-9(16)10(17)6-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine has a molecular weight of 417.61 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 107622311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).