[1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol

C26H41N5O — CID 53322245

IUPAC[1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol
SMILESCC1CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1
InChIInChI=1S/C26H41N5O/c1-21-19-29(18-15-27-21)25-28-23-9-5-6-10-24(23)31(25)22-11-16-30(17-12-22)26(20-32)13-7-3-2-4-8-14-26/h5-6,9-10,21-22,27,32H,2-4,7-8,11-20H2,1H3
InChIKeyZFBVHBCZNNALTI-UHFFFAOYSA-N
MW439.65 g/mol
LogP3.95
Rot. Bonds4

About [1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol

[1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol (PubChem CID 53322245) has the molecular formula C26H41N5O and a molecular weight of 439.65 g/mol. Its IUPAC name is [1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol.

Molecular Properties

Compound Name[1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol
PubChem CID53322245
Molecular FormulaC26H41N5O
Molecular Weight439.65 g/mol
Exact Mass439.33
IUPAC Name[1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol
SMILESCC1CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1
InChIInChI=1S/C26H41N5O/c1-21-19-29(18-15-27-21)25-28-23-9-5-6-10-24(23)31(25)22-11-16-30(17-12-22)26(20-32)13-7-3-2-4-8-14-26/h5-6,9-10,21-22,27,32H,2-4,7-8,11-20H2,1H3
InChIKeyZFBVHBCZNNALTI-UHFFFAOYSA-N
XLogP3.95
TPSA56.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.65
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol?
The IUPAC name of [1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol (CID 53322245) is [1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol.
What is the SMILES notation for [1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol?
The canonical SMILES for [1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol is CC1CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1.
What is the InChIKey of [1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol?
The InChIKey is ZFBVHBCZNNALTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O/c1-21-19-29(18-15-27-21)25-28-23-9-5-6-10-24(23)31(25)22-11-16-30(17-12-22)26(20-32)13-7-3-2-4-8-14-26/h5-6,9-10,21-22,27,32H,2-4,7-8,11-20H2,1H3.
What are the key properties of [1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol?
[1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol has a molecular weight of 439.65 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(3-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol is sourced from PubChem (CID 53322245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).