5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine

C15H15BrN4 — CID 43662186

IUPAC5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine
SMILESCN(C)c1ccc(-n2c(N)nc3cc(Br)ccc32)cc1
InChIInChI=1S/C15H15BrN4/c1-19(2)11-4-6-12(7-5-11)20-14-8-3-10(16)9-13(14)18-15(20)17/h3-9H,1-2H3,(H2,17,18)
InChIKeyZASNVXYCONSTQF-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.44
Rot. Bonds2

About 5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine

5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine (PubChem CID 43662186) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine
PubChem CID43662186
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine
SMILESCN(C)c1ccc(-n2c(N)nc3cc(Br)ccc32)cc1
InChIInChI=1S/C15H15BrN4/c1-19(2)11-4-6-12(7-5-11)20-14-8-3-10(16)9-13(14)18-15(20)17/h3-9H,1-2H3,(H2,17,18)
InChIKeyZASNVXYCONSTQF-UHFFFAOYSA-N
XLogP3.44
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 43661850
1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
CID 43661852
5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 43661954
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710
5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
CID 43661906
6-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 65347115
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
CID 65347163
5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine
CID 63546046
5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
CID 43661750
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042
6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine
CID 65347408

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine (CID 43662186) is 5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine is CN(C)c1ccc(-n2c(N)nc3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine?
The InChIKey is ZASNVXYCONSTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-19(2)11-4-6-12(7-5-11)20-14-8-3-10(16)9-13(14)18-15(20)17/h3-9H,1-2H3,(H2,17,18).
What are the key properties of 5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine?
5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine has a molecular weight of 331.22 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 43662186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).