[1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol

C23H24N6O2 — CID 71459650

IUPAC[1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncncc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C23H24N6O2/c30-14-16-9-11-29(12-10-16)22-21(13-24-15-25-22)31-18-7-5-17(6-8-18)26-23-27-19-3-1-2-4-20(19)28-23/h1-8,13,15-16,30H,9-12,14H2,(H2,26,27,28)
InChIKeyYXXAGTZFDNFVSI-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.10
Rot. Bonds6

About [1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol

[1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 71459650) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is [1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID71459650
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name[1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncncc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C23H24N6O2/c30-14-16-9-11-29(12-10-16)22-21(13-24-15-25-22)31-18-7-5-17(6-8-18)26-23-27-19-3-1-2-4-20(19)28-23/h1-8,13,15-16,30H,9-12,14H2,(H2,26,27,28)
InChIKeyYXXAGTZFDNFVSI-UHFFFAOYSA-N
XLogP4.10
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol (CID 71459650) is [1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol is OCC1CCN(c2ncncc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1.
What is the InChIKey of [1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is YXXAGTZFDNFVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c30-14-16-9-11-29(12-10-16)22-21(13-24-15-25-22)31-18-7-5-17(6-8-18)26-23-27-19-3-1-2-4-20(19)28-23/h1-8,13,15-16,30H,9-12,14H2,(H2,26,27,28).
What are the key properties of [1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol?
[1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 416.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 71459650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).