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

C25H26N4O2 — CID 71450591

IUPAC[1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccccc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C25H26N4O2/c30-17-18-13-15-29(16-14-18)23-7-3-4-8-24(23)31-20-11-9-19(10-12-20)26-25-27-21-5-1-2-6-22(21)28-25/h1-12,18,30H,13-17H2,(H2,26,27,28)
InChIKeyZORCKVZAICILEF-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.31
Rot. Bonds6

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

[1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol (PubChem CID 71450591) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is [1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol
PubChem CID71450591
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name[1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccccc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C25H26N4O2/c30-17-18-13-15-29(16-14-18)23-7-3-4-8-24(23)31-20-11-9-19(10-12-20)26-25-27-21-5-1-2-6-22(21)28-25/h1-12,18,30H,13-17H2,(H2,26,27,28)
InChIKeyZORCKVZAICILEF-UHFFFAOYSA-N
XLogP5.31
TPSA73.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1-{3-[4-(1h-Benzimidazol-2-Ylamino)phenoxy]pyridin-2-Yl}piperidin-4-Yl)methanol
CID 70679302
2-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1H-1,3-benzodiazole
CID 11198512
2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenoxy}-1H-1,3-benzodiazole
CID 11359197
2-{4-[2-(azepan-1-yl)ethoxy]phenoxy}-1H-1,3-benzodiazole
CID 24901581
[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]methanol
CID 741502
3-[1-(4-Phenoxybutyl)benzimidazol-2-yl]propan-1-ol
CID 2946738
2-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 667675
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 4826074
2-{4-[3-(piperidin-1-yl)propoxy]phenoxy}-1H-1,3-benzodiazole
CID 24901595
4-{2-[4-(1H-1,3-benzodiazol-2-yloxy)phenoxy]ethyl}morpholine
CID 11279206
2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]thio]1H-benzimidazole
CID 24949385
2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)-1H-benzo[d]imidazole
CID 46861858

Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol (CID 71450591) is [1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol is OCC1CCN(c2ccccc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1.
What is the InChIKey of [1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol?
The InChIKey is ZORCKVZAICILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-17-18-13-15-29(16-14-18)23-7-3-4-8-24(23)31-20-11-9-19(10-12-20)26-25-27-21-5-1-2-6-22(21)28-25/h1-12,18,30H,13-17H2,(H2,26,27,28).
What are the key properties of [1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol?
[1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol has a molecular weight of 414.51 g/mol, XLogP of 5.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 71450591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).