[1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol

C24H26N6O2 — CID 71452430

IUPAC[1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCn1c(Nc2ccc(Oc3nccnc3N3CCC(CO)CC3)cc2)nc2ccccc21
InChIInChI=1S/C24H26N6O2/c1-29-21-5-3-2-4-20(21)28-24(29)27-18-6-8-19(9-7-18)32-23-22(25-12-13-26-23)30-14-10-17(16-31)11-15-30/h2-9,12-13,17,31H,10-11,14-16H2,1H3,(H,27,28)
InChIKeyINXUVXTYVWYKEQ-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.11
Rot. Bonds6

About [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 71452430) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID71452430
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name[1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCn1c(Nc2ccc(Oc3nccnc3N3CCC(CO)CC3)cc2)nc2ccccc21
InChIInChI=1S/C24H26N6O2/c1-29-21-5-3-2-4-20(21)28-24(29)27-18-6-8-19(9-7-18)32-23-22(25-12-13-26-23)30-14-10-17(16-31)11-15-30/h2-9,12-13,17,31H,10-11,14-16H2,1H3,(H,27,28)
InChIKeyINXUVXTYVWYKEQ-UHFFFAOYSA-N
XLogP4.11
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol (CID 71452430) is [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol is Cn1c(Nc2ccc(Oc3nccnc3N3CCC(CO)CC3)cc2)nc2ccccc21.
What is the InChIKey of [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is INXUVXTYVWYKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-29-21-5-3-2-4-20(21)28-24(29)27-18-6-8-19(9-7-18)32-23-22(25-12-13-26-23)30-14-10-17(16-31)11-15-30/h2-9,12-13,17,31H,10-11,14-16H2,1H3,(H,27,28).
What are the key properties of [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 430.51 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 71452430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).