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

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Related Compounds

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-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one
CID 18465448
4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride
CID 3030621
1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine
CID 61291804
(1S,2R,4R)-4-(2-aminobenzimidazol-1-yl)cyclohexane-1,2-diol
CID 139447792
1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-3-(2-piperazin-1-ylethyl)benzimidazol-2-one
CID 18465414
cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol
CID 139447970
1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine
CID 61480058
1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine
CID 53260727
(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101053650

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).