2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine

C12H11BrFN5 — CID 107495883

IUPAC2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine
SMILESNCCn1cnc(-c2nc3cc(Br)c(F)cc3[nH]2)c1
InChIInChI=1S/C12H11BrFN5/c13-7-3-9-10(4-8(7)14)18-12(17-9)11-5-19(2-1-15)6-16-11/h3-6H,1-2,15H2,(H,17,18)
InChIKeyPJOHTXQEQSEBSS-UHFFFAOYSA-N
MW324.16 g/mol
LogP2.29
Rot. Bonds3

About 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine

2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine (PubChem CID 107495883) has the molecular formula C12H11BrFN5 and a molecular weight of 324.16 g/mol. Its IUPAC name is 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine
PubChem CID107495883
Molecular FormulaC12H11BrFN5
Molecular Weight324.16 g/mol
Exact Mass323.02
IUPAC Name2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine
SMILESNCCn1cnc(-c2nc3cc(Br)c(F)cc3[nH]2)c1
InChIInChI=1S/C12H11BrFN5/c13-7-3-9-10(4-8(7)14)18-12(17-9)11-5-19(2-1-15)6-16-11/h3-6H,1-2,15H2,(H,17,18)
InChIKeyPJOHTXQEQSEBSS-UHFFFAOYSA-N
XLogP2.29
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine
CID 107495752
5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 79631691
2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 79631765
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine
CID 79630920
5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 107519609
5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole
CID 79630468
5-bromo-6-fluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 79631045
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329
2-[4-(7-bromo-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine
CID 107496526
5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 79631134
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-3-methylaniline
CID 79631596

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine (CID 107495883) is 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine is NCCn1cnc(-c2nc3cc(Br)c(F)cc3[nH]2)c1.
What is the InChIKey of 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine?
The InChIKey is PJOHTXQEQSEBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN5/c13-7-3-9-10(4-8(7)14)18-12(17-9)11-5-19(2-1-15)6-16-11/h3-6H,1-2,15H2,(H,17,18).
What are the key properties of 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine?
2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine has a molecular weight of 324.16 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 107495883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).