4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine

C15H20F2N4 — CID 115508758

IUPAC4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine
SMILESCCCN1CCC(n2c(N)nc3c(F)cc(F)cc32)CC1
InChIInChI=1S/C15H20F2N4/c1-2-5-20-6-3-11(4-7-20)21-13-9-10(16)8-12(17)14(13)19-15(21)18/h8-9,11H,2-7H2,1H3,(H2,18,19)
InChIKeySUXKZFNQEKINPB-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.94
Rot. Bonds3

About 4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine

4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine (PubChem CID 115508758) has the molecular formula C15H20F2N4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine
PubChem CID115508758
Molecular FormulaC15H20F2N4
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine
SMILESCCCN1CCC(n2c(N)nc3c(F)cc(F)cc32)CC1
InChIInChI=1S/C15H20F2N4/c1-2-5-20-6-3-11(4-7-20)21-13-9-10(16)8-12(17)14(13)19-15(21)18/h8-9,11H,2-7H2,1H3,(H2,18,19)
InChIKeySUXKZFNQEKINPB-UHFFFAOYSA-N
XLogP2.94
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclooctyl-4,6-difluorobenzimidazol-2-amine
CID 115508550
1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine
CID 83028894
4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82727870
5-bromo-6-fluoro-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine
CID 66086694
2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole
CID 115509040
2-(chloromethyl)-1-(4-ethylcyclohexyl)-4,6-difluorobenzimidazole
CID 115509297
2-(2-chloroethyl)-4,6-difluoro-1-(4-methylcyclohexyl)benzimidazole
CID 104963478
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
CID 61470261
5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546950
2-(2-chloroethyl)-4,6-difluoro-1-(oxan-4-yl)benzimidazole
CID 115509237
6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine
CID 66101969

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine?
The IUPAC name of 4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine (CID 115508758) is 4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine?
The canonical SMILES for 4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine is CCCN1CCC(n2c(N)nc3c(F)cc(F)cc32)CC1.
What is the InChIKey of 4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine?
The InChIKey is SUXKZFNQEKINPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4/c1-2-5-20-6-3-11(4-7-20)21-13-9-10(16)8-12(17)14(13)19-15(21)18/h8-9,11H,2-7H2,1H3,(H2,18,19).
What are the key properties of 4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine?
4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine has a molecular weight of 294.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 115508758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).