1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine

C22H26N6O2 — CID 121441424

IUPAC1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine
SMILESCc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(N3CCC(N)CC3)[nH]c2c1
InChIInChI=1S/C22H26N6O2/c1-11-19(13(3)29-26-11)15-9-17(20-12(2)27-30-14(20)4)21-18(10-15)24-22(25-21)28-7-5-16(23)6-8-28/h9-10,16H,5-8,23H2,1-4H3,(H,24,25)
InChIKeyPLLKQQSPPRRQDL-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.03
Rot. Bonds3

About 1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine

1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine (PubChem CID 121441424) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine
PubChem CID121441424
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine
SMILESCc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(N3CCC(N)CC3)[nH]c2c1
InChIInChI=1S/C22H26N6O2/c1-11-19(13(3)29-26-11)15-9-17(20-12(2)27-30-14(20)4)21-18(10-15)24-22(25-21)28-7-5-16(23)6-8-28/h9-10,16H,5-8,23H2,1-4H3,(H,24,25)
InChIKeyPLLKQQSPPRRQDL-UHFFFAOYSA-N
XLogP4.03
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine?
The IUPAC name of 1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine (CID 121441424) is 1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine is Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(N3CCC(N)CC3)[nH]c2c1.
What is the InChIKey of 1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine?
The InChIKey is PLLKQQSPPRRQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-11-19(13(3)29-26-11)15-9-17(20-12(2)27-30-14(20)4)21-18(10-15)24-22(25-21)28-7-5-16(23)6-8-28/h9-10,16H,5-8,23H2,1-4H3,(H,24,25).
What are the key properties of 1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine?
1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine has a molecular weight of 406.49 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine is sourced from PubChem (CID 121441424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).