2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole

C25H37N3 — CID 163932036

IUPAC2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole
SMILESC1=CC(C2=NC3C(CCC4C5=C(CCCC5)N(C5CCCCC5)C43)N2)CCC1
InChIInChI=1S/C25H37N3/c1-3-9-17(10-4-1)25-26-21-16-15-20-19-13-7-8-14-22(19)28(24(20)23(21)27-25)18-11-5-2-6-12-18/h3,9,17-18,20-21,23-24H,1-2,4-8,10-16H2,(H,26,27)
InChIKeyRJMLNVPCIRZNBP-UHFFFAOYSA-N
MW379.59 g/mol
LogP5.34
Rot. Bonds2

About 2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole

2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole (PubChem CID 163932036) has the molecular formula C25H37N3 and a molecular weight of 379.59 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole
PubChem CID163932036
Molecular FormulaC25H37N3
Molecular Weight379.59 g/mol
Exact Mass379.30
IUPAC Name2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole
SMILESC1=CC(C2=NC3C(CCC4C5=C(CCCC5)N(C5CCCCC5)C43)N2)CCC1
InChIInChI=1S/C25H37N3/c1-3-9-17(10-4-1)25-26-21-16-15-20-19-13-7-8-14-22(19)28(24(20)23(21)27-25)18-11-5-2-6-12-18/h3,9,17-18,20-21,23-24H,1-2,4-8,10-16H2,(H,26,27)
InChIKeyRJMLNVPCIRZNBP-UHFFFAOYSA-N
XLogP5.34
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole?
The IUPAC name of 2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole (CID 163932036) is 2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole?
The canonical SMILES for 2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole is C1=CC(C2=NC3C(CCC4C5=C(CCCC5)N(C5CCCCC5)C43)N2)CCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole?
The InChIKey is RJMLNVPCIRZNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3/c1-3-9-17(10-4-1)25-26-21-16-15-20-19-13-7-8-14-22(19)28(24(20)23(21)27-25)18-11-5-2-6-12-18/h3,9,17-18,20-21,23-24H,1-2,4-8,10-16H2,(H,26,27).
What are the key properties of 2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole?
2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole has a molecular weight of 379.59 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-10-cyclohexyl-3a,4,5,5a,6,7,8,9,10a,10b-decahydro-3H-imidazo[4,5-a]carbazole is sourced from PubChem (CID 163932036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).