benzene;2,3,4,5-tetramethyl-1H-indole

C18H21N — CID 174464516

IUPACbenzene;2,3,4,5-tetramethyl-1H-indole
SMILESCc1ccc2[nH]c(C)c(C)c2c1C.c1ccccc1
InChIInChI=1S/C12H15N.C6H6/c1-7-5-6-11-12(8(7)2)9(3)10(4)13-11;1-2-4-6-5-3-1/h5-6,13H,1-4H3;1-6H
InChIKeyDSMWNBVYQVTNAH-UHFFFAOYSA-N
MW251.37 g/mol
LogP5.09
Rot. Bonds

About benzene;2,3,4,5-tetramethyl-1H-indole

benzene;2,3,4,5-tetramethyl-1H-indole (PubChem CID 174464516) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is benzene;2,3,4,5-tetramethyl-1H-indole.

Molecular Properties

Compound Namebenzene;2,3,4,5-tetramethyl-1H-indole
PubChem CID174464516
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Namebenzene;2,3,4,5-tetramethyl-1H-indole
SMILESCc1ccc2[nH]c(C)c(C)c2c1C.c1ccccc1
InChIInChI=1S/C12H15N.C6H6/c1-7-5-6-11-12(8(7)2)9(3)10(4)13-11;1-2-4-6-5-3-1/h5-6,13H,1-4H3;1-6H
InChIKeyDSMWNBVYQVTNAH-UHFFFAOYSA-N
XLogP5.09
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;2,3,4,5-tetramethyl-1H-indole?
The IUPAC name of benzene;2,3,4,5-tetramethyl-1H-indole (CID 174464516) is benzene;2,3,4,5-tetramethyl-1H-indole.
What is the SMILES notation for benzene;2,3,4,5-tetramethyl-1H-indole?
The canonical SMILES for benzene;2,3,4,5-tetramethyl-1H-indole is Cc1ccc2[nH]c(C)c(C)c2c1C.c1ccccc1.
What is the InChIKey of benzene;2,3,4,5-tetramethyl-1H-indole?
The InChIKey is DSMWNBVYQVTNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C6H6/c1-7-5-6-11-12(8(7)2)9(3)10(4)13-11;1-2-4-6-5-3-1/h5-6,13H,1-4H3;1-6H.
What are the key properties of benzene;2,3,4,5-tetramethyl-1H-indole?
benzene;2,3,4,5-tetramethyl-1H-indole has a molecular weight of 251.37 g/mol, XLogP of 5.09, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,3,4,5-tetramethyl-1H-indole is sourced from PubChem (CID 174464516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).