6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine

C14H19BrFN5 — CID 116738353

IUPAC6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine
SMILESCN1CCN(C)C(Cn2c(N)nc3cc(F)c(Br)cc32)C1
InChIInChI=1S/C14H19BrFN5/c1-19-3-4-20(2)9(7-19)8-21-13-5-10(15)11(16)6-12(13)18-14(21)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,18)
InChIKeyPBCPGSSEHWYSEY-UHFFFAOYSA-N
MW356.24 g/mol
LogP1.77
Rot. Bonds2

About 6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine

6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine (PubChem CID 116738353) has the molecular formula C14H19BrFN5 and a molecular weight of 356.24 g/mol. Its IUPAC name is 6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine
PubChem CID116738353
Molecular FormulaC14H19BrFN5
Molecular Weight356.24 g/mol
Exact Mass355.08
IUPAC Name6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine
SMILESCN1CCN(C)C(Cn2c(N)nc3cc(F)c(Br)cc32)C1
InChIInChI=1S/C14H19BrFN5/c1-19-3-4-20(2)9(7-19)8-21-13-5-10(15)11(16)6-12(13)18-14(21)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,18)
InChIKeyPBCPGSSEHWYSEY-UHFFFAOYSA-N
XLogP1.77
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 116738278
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 66088828
6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
CID 116738236
5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine
CID 107414278
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456
1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine
CID 63898810
6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine
CID 116738400
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
6-bromo-1-[(1-ethylcyclopropyl)methyl]-5-fluorobenzimidazol-2-amine
CID 114101078
6-bromo-5-fluoro-1-(4-methylsulfanylbutyl)benzimidazol-2-amine
CID 116738528
6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine
CID 116738307

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine (CID 116738353) is 6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine is CN1CCN(C)C(Cn2c(N)nc3cc(F)c(Br)cc32)C1.
What is the InChIKey of 6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine?
The InChIKey is PBCPGSSEHWYSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN5/c1-19-3-4-20(2)9(7-19)8-21-13-5-10(15)11(16)6-12(13)18-14(21)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,18).
What are the key properties of 6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine?
6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine has a molecular weight of 356.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 116738353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).