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

C15H20BrFN4 — CID 66088828

IUPAC5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine
SMILESCCN1CCC(Cn2c(N)nc3cc(Br)c(F)cc32)CC1
InChIInChI=1S/C15H20BrFN4/c1-2-20-5-3-10(4-6-20)9-21-14-8-12(17)11(16)7-13(14)19-15(21)18/h7-8,10H,2-6,9H2,1H3,(H2,18,19)
InChIKeyAUCQMTCLBZIJLV-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.25
Rot. Bonds3

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

5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine (PubChem CID 66088828) has the molecular formula C15H20BrFN4 and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine
PubChem CID66088828
Molecular FormulaC15H20BrFN4
Molecular Weight355.26 g/mol
Exact Mass354.09
IUPAC Name5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine
SMILESCCN1CCC(Cn2c(N)nc3cc(Br)c(F)cc32)CC1
InChIInChI=1S/C15H20BrFN4/c1-2-20-5-3-10(4-6-20)9-21-14-8-12(17)11(16)7-13(14)19-15(21)18/h7-8,10H,2-6,9H2,1H3,(H2,18,19)
InChIKeyAUCQMTCLBZIJLV-UHFFFAOYSA-N
XLogP3.25
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine
CID 107414278
5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 66087092
6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 116738278
5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 66078129
6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 65346977
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
5-bromo-6-fluoro-1-(thiolan-2-ylmethyl)benzimidazol-2-amine
CID 80585657
5-bromo-6-fluoro-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 80612265
5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole
CID 66086361
6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine
CID 116738353
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66085937

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine (CID 66088828) is 5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine is CCN1CCC(Cn2c(N)nc3cc(Br)c(F)cc32)CC1.
What is the InChIKey of 5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine?
The InChIKey is AUCQMTCLBZIJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN4/c1-2-20-5-3-10(4-6-20)9-21-14-8-12(17)11(16)7-13(14)19-15(21)18/h7-8,10H,2-6,9H2,1H3,(H2,18,19).
What are the key properties of 5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine?
5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine has a molecular weight of 355.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66088828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).