7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole

C18H24BrN — CID 106985296

IUPAC7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole
SMILESCC(C)(C)C1CCC(c2c[nH]c3c(Br)cccc23)CC1
InChIInChI=1S/C18H24BrN/c1-18(2,3)13-9-7-12(8-10-13)15-11-20-17-14(15)5-4-6-16(17)19/h4-6,11-13,20H,7-10H2,1-3H3
InChIKeyYTWHHRDWDXCCCL-UHFFFAOYSA-N
MW334.30 g/mol
LogP6.25
Rot. Bonds1

About 7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole

7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole (PubChem CID 106985296) has the molecular formula C18H24BrN and a molecular weight of 334.30 g/mol. Its IUPAC name is 7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole.

Molecular Properties

Compound Name7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole
PubChem CID106985296
Molecular FormulaC18H24BrN
Molecular Weight334.30 g/mol
Exact Mass333.11
IUPAC Name7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole
SMILESCC(C)(C)C1CCC(c2c[nH]c3c(Br)cccc23)CC1
InChIInChI=1S/C18H24BrN/c1-18(2,3)13-9-7-12(8-10-13)15-11-20-17-14(15)5-4-6-16(17)19/h4-6,11-13,20H,7-10H2,1-3H3
InChIKeyYTWHHRDWDXCCCL-UHFFFAOYSA-N
XLogP6.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.30
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole?
The IUPAC name of 7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole (CID 106985296) is 7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole.
What is the SMILES notation for 7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole?
The canonical SMILES for 7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole is CC(C)(C)C1CCC(c2c[nH]c3c(Br)cccc23)CC1.
What is the InChIKey of 7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole?
The InChIKey is YTWHHRDWDXCCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN/c1-18(2,3)13-9-7-12(8-10-13)15-11-20-17-14(15)5-4-6-16(17)19/h4-6,11-13,20H,7-10H2,1-3H3.
What are the key properties of 7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole?
7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole has a molecular weight of 334.30 g/mol, XLogP of 6.25, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole is sourced from PubChem (CID 106985296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).