1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine

C26H34N4 — CID 21268138

IUPAC1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1C1CCN(C2(c3ccccc3)CCCCCCC2)CC1
InChIInChI=1S/C26H34N4/c27-25-28-23-13-7-8-14-24(23)30(25)22-15-19-29(20-16-22)26(21-11-5-4-6-12-21)17-9-2-1-3-10-18-26/h4-8,11-14,22H,1-3,9-10,15-20H2,(H2,27,28)
InChIKeyBCDYNHNOGFFARB-UHFFFAOYSA-N
MW402.59 g/mol
LogP5.90
Rot. Bonds3

About 1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine

1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine (PubChem CID 21268138) has the molecular formula C26H34N4 and a molecular weight of 402.59 g/mol. Its IUPAC name is 1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine
PubChem CID21268138
Molecular FormulaC26H34N4
Molecular Weight402.59 g/mol
Exact Mass402.28
IUPAC Name1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1C1CCN(C2(c3ccccc3)CCCCCCC2)CC1
InChIInChI=1S/C26H34N4/c27-25-28-23-13-7-8-14-24(23)30(25)22-15-19-29(20-16-22)26(21-11-5-4-6-12-21)17-9-2-1-3-10-18-26/h4-8,11-14,22H,1-3,9-10,15-20H2,(H2,27,28)
InChIKeyBCDYNHNOGFFARB-UHFFFAOYSA-N
XLogP5.90
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine?
The IUPAC name of 1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine (CID 21268138) is 1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine?
The canonical SMILES for 1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine is Nc1nc2ccccc2n1C1CCN(C2(c3ccccc3)CCCCCCC2)CC1.
What is the InChIKey of 1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine?
The InChIKey is BCDYNHNOGFFARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4/c27-25-28-23-13-7-8-14-24(23)30(25)22-15-19-29(20-16-22)26(21-11-5-4-6-12-21)17-9-2-1-3-10-18-26/h4-8,11-14,22H,1-3,9-10,15-20H2,(H2,27,28).
What are the key properties of 1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine?
1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine has a molecular weight of 402.59 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine is sourced from PubChem (CID 21268138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).