2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine

C26H42N4 — CID 144722228

IUPAC2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nc2ccccc2n1C1CCN(C(C)C2CCCCCCC2)CC1
InChIInChI=1S/C26H42N4/c1-3-27-18-15-26-28-24-13-9-10-14-25(24)30(26)23-16-19-29(20-17-23)21(2)22-11-7-5-4-6-8-12-22/h9-10,13-14,21-23,27H,3-8,11-12,15-20H2,1-2H3
InChIKeyFSDXWQSBEJLDRY-UHFFFAOYSA-N
MW410.65 g/mol
LogP5.57
Rot. Bonds7

About 2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine

2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine (PubChem CID 144722228) has the molecular formula C26H42N4 and a molecular weight of 410.65 g/mol. Its IUPAC name is 2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine
PubChem CID144722228
Molecular FormulaC26H42N4
Molecular Weight410.65 g/mol
Exact Mass410.34
IUPAC Name2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nc2ccccc2n1C1CCN(C(C)C2CCCCCCC2)CC1
InChIInChI=1S/C26H42N4/c1-3-27-18-15-26-28-24-13-9-10-14-25(24)30(26)23-16-19-29(20-17-23)21(2)22-11-7-5-4-6-8-12-22/h9-10,13-14,21-23,27H,3-8,11-12,15-20H2,1-2H3
InChIKeyFSDXWQSBEJLDRY-UHFFFAOYSA-N
XLogP5.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[1-[(3-bromophenyl)methyl]piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine
CID 144722295
2-[1-[1-[(5,5-dimethylcyclohexen-1-yl)methyl]piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine
CID 144722224
2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole
CID 55222184
N-methyl-3-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970719
1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 65243114
2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 112632185
N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970701
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
CID 63638067
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 129393280

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine?
The IUPAC name of 2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine (CID 144722228) is 2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine is CCNCCc1nc2ccccc2n1C1CCN(C(C)C2CCCCCCC2)CC1.
What is the InChIKey of 2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine?
The InChIKey is FSDXWQSBEJLDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4/c1-3-27-18-15-26-28-24-13-9-10-14-25(24)30(26)23-16-19-29(20-17-23)21(2)22-11-7-5-4-6-8-12-22/h9-10,13-14,21-23,27H,3-8,11-12,15-20H2,1-2H3.
What are the key properties of 2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine?
2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine has a molecular weight of 410.65 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 144722228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).