3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine

C26H39N5 — CID 10295758

IUPAC3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC1(N2CCC(n3c(N4CC5C(N)C5C4)nc4ccccc43)CC2)CCCCCCC1
InChIInChI=1S/C26H39N5/c1-26(13-7-3-2-4-8-14-26)30-15-11-19(12-16-30)31-23-10-6-5-9-22(23)28-25(31)29-17-20-21(18-29)24(20)27/h5-6,9-10,19-21,24H,2-4,7-8,11-18,27H2,1H3
InChIKeyYHUIHSYAZZOEIZ-UHFFFAOYSA-N
MW421.63 g/mol
LogP4.57
Rot. Bonds3

About 3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine

3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 10295758) has the molecular formula C26H39N5 and a molecular weight of 421.63 g/mol. Its IUPAC name is 3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID10295758
Molecular FormulaC26H39N5
Molecular Weight421.63 g/mol
Exact Mass421.32
IUPAC Name3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC1(N2CCC(n3c(N4CC5C(N)C5C4)nc4ccccc43)CC2)CCCCCCC1
InChIInChI=1S/C26H39N5/c1-26(13-7-3-2-4-8-14-26)30-15-11-19(12-16-30)31-23-10-6-5-9-22(23)28-25(31)29-17-20-21(18-29)24(20)27/h5-6,9-10,19-21,24H,2-4,7-8,11-18,27H2,1H3
InChIKeyYHUIHSYAZZOEIZ-UHFFFAOYSA-N
XLogP4.57
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.63
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine with MolForge

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Related Compounds

2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole
CID 24800107
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-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole
CID 15485902
[1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol
CID 53316968
1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine
CID 21268138
1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine
CID 61291804
1-(1-cyclopentylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46106622
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 65243114
[1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42880144
ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 46106564
1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole
CID 166359652

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine (CID 10295758) is 3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine is CC1(N2CCC(n3c(N4CC5C(N)C5C4)nc4ccccc43)CC2)CCCCCCC1.
What is the InChIKey of 3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is YHUIHSYAZZOEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5/c1-26(13-7-3-2-4-8-14-26)30-15-11-19(12-16-30)31-23-10-6-5-9-22(23)28-25(31)29-17-20-21(18-29)24(20)27/h5-6,9-10,19-21,24H,2-4,7-8,11-18,27H2,1H3.
What are the key properties of 3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 421.63 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 10295758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).