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

C27H43N5O — CID 53316968

IUPAC[1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol
SMILESCC1(C)CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1
InChIInChI=1S/C27H43N5O/c1-26(2)20-30(19-16-28-26)25-29-23-10-6-7-11-24(23)32(25)22-12-17-31(18-13-22)27(21-33)14-8-4-3-5-9-15-27/h6-7,10-11,22,28,33H,3-5,8-9,12-21H2,1-2H3
InChIKeyKQDFWEOLSLYTJB-UHFFFAOYSA-N
MW453.68 g/mol
LogP4.34
Rot. Bonds4

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

[1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol (PubChem CID 53316968) has the molecular formula C27H43N5O and a molecular weight of 453.68 g/mol. Its IUPAC name is [1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol.

Molecular Properties

Compound Name[1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol
PubChem CID53316968
Molecular FormulaC27H43N5O
Molecular Weight453.68 g/mol
Exact Mass453.35
IUPAC Name[1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol
SMILESCC1(C)CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1
InChIInChI=1S/C27H43N5O/c1-26(2)20-30(19-16-28-26)25-29-23-10-6-7-11-24(23)32(25)22-12-17-31(18-13-22)27(21-33)14-8-4-3-5-9-15-27/h6-7,10-11,22,28,33H,3-5,8-9,12-21H2,1-2H3
InChIKeyKQDFWEOLSLYTJB-UHFFFAOYSA-N
XLogP4.34
TPSA56.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.68
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole
CID 82993712
2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole
CID 24800107
3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 10295758
1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole
CID 15485902
2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazole
CID 10163826
2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazole
CID 10278518
1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine
CID 21268138
N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106625
[1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42880144
[(3R)-1-(1-cyclopentylbenzimidazol-2-yl)piperidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 93015112
[1-(1-cyclopentylbenzimidazol-2-yl)piperidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 46106644
1-(1-cyclopentylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46106622

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol?
The IUPAC name of [1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol (CID 53316968) is [1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol.
What is the SMILES notation for [1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol?
The canonical SMILES for [1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol is CC1(C)CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1.
What is the InChIKey of [1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol?
The InChIKey is KQDFWEOLSLYTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N5O/c1-26(2)20-30(19-16-28-26)25-29-23-10-6-7-11-24(23)32(25)22-12-17-31(18-13-22)27(21-33)14-8-4-3-5-9-15-27/h6-7,10-11,22,28,33H,3-5,8-9,12-21H2,1-2H3.
What are the key properties of [1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol?
[1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol has a molecular weight of 453.68 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol is sourced from PubChem (CID 53316968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).