[1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol

C24H25N5O2 — CID 70679302

IUPAC[1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncccc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C24H25N5O2/c30-16-17-11-14-29(15-12-17)23-22(6-3-13-25-23)31-19-9-7-18(8-10-19)26-24-27-20-4-1-2-5-21(20)28-24/h1-10,13,17,30H,11-12,14-16H2,(H2,26,27,28)
InChIKeyXGFBQNCOZRNUGL-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.70
Rot. Bonds6

About [1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol

[1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol (PubChem CID 70679302) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is [1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol
PubChem CID70679302
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name[1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncccc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C24H25N5O2/c30-16-17-11-14-29(15-12-17)23-22(6-3-13-25-23)31-19-9-7-18(8-10-19)26-24-27-20-4-1-2-5-21(20)28-24/h1-10,13,17,30H,11-12,14-16H2,(H2,26,27,28)
InChIKeyXGFBQNCOZRNUGL-UHFFFAOYSA-N
XLogP4.70
TPSA86.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol (CID 70679302) is [1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol is OCC1CCN(c2ncccc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1.
What is the InChIKey of [1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol?
The InChIKey is XGFBQNCOZRNUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-16-17-11-14-29(15-12-17)23-22(6-3-13-25-23)31-19-9-7-18(8-10-19)26-24-27-20-4-1-2-5-21(20)28-24/h1-10,13,17,30H,11-12,14-16H2,(H2,26,27,28).
What are the key properties of [1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol?
[1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol has a molecular weight of 415.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]-2-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 70679302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).