1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine

C14H10BrFIN3 — CID 66101772

IUPAC1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1Cc1ccccc1Br
InChIInChI=1S/C14H10BrFIN3/c15-9-4-2-1-3-8(9)7-20-13-5-10(16)11(17)6-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)
InChIKeyWEVLEYMWIWZNRT-UHFFFAOYSA-N
MW446.06 g/mol
LogP4.17
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine

1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine (PubChem CID 66101772) has the molecular formula C14H10BrFIN3 and a molecular weight of 446.06 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
PubChem CID66101772
Molecular FormulaC14H10BrFIN3
Molecular Weight446.06 g/mol
Exact Mass444.91
IUPAC Name1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1Cc1ccccc1Br
InChIInChI=1S/C14H10BrFIN3/c15-9-4-2-1-3-8(9)7-20-13-5-10(16)11(17)6-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)
InChIKeyWEVLEYMWIWZNRT-UHFFFAOYSA-N
XLogP4.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.06
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2-bromophenyl)methyl]-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

1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101204
5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66086491
6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 116738009
6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66101378
2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile
CID 82359162
5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 66087655
6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
CID 66100609
6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66099992
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
CID 66102345
6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine
CID 116737993
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine (CID 66101772) is 1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine is Nc1nc2cc(I)c(F)cc2n1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine?
The InChIKey is WEVLEYMWIWZNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFIN3/c15-9-4-2-1-3-8(9)7-20-13-5-10(16)11(17)6-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19).
What are the key properties of 1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine?
1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine has a molecular weight of 446.06 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66101772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).