3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole

C27H32N2 — CID 102450410

IUPAC3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(CCC1CCCCC1)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C27H32N2/c1-18-26(21-12-6-8-14-24(21)28-18)23(17-16-20-10-4-3-5-11-20)27-19(2)29-25-15-9-7-13-22(25)27/h6-9,12-15,20,23,28-29H,3-5,10-11,16-17H2,1-2H3
InChIKeyXBSUDEBPZIZQGI-UHFFFAOYSA-N
MW384.57 g/mol
LogP7.76
Rot. Bonds5

About 3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole

3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole (PubChem CID 102450410) has the molecular formula C27H32N2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole
PubChem CID102450410
Molecular FormulaC27H32N2
Molecular Weight384.57 g/mol
Exact Mass384.26
IUPAC Name3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(CCC1CCCCC1)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C27H32N2/c1-18-26(21-12-6-8-14-24(21)28-18)23(17-16-20-10-4-3-5-11-20)27-19(2)29-25-15-9-7-13-22(25)27/h6-9,12-15,20,23,28-29H,3-5,10-11,16-17H2,1-2H3
InChIKeyXBSUDEBPZIZQGI-UHFFFAOYSA-N
XLogP7.76
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole?
The IUPAC name of 3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole (CID 102450410) is 3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1C(CCC1CCCCC1)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole?
The InChIKey is XBSUDEBPZIZQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2/c1-18-26(21-12-6-8-14-24(21)28-18)23(17-16-20-10-4-3-5-11-20)27-19(2)29-25-15-9-7-13-22(25)27/h6-9,12-15,20,23,28-29H,3-5,10-11,16-17H2,1-2H3.
What are the key properties of 3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole?
3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole has a molecular weight of 384.57 g/mol, XLogP of 7.76, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole is sourced from PubChem (CID 102450410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).