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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Related Compounds

methane;2,3,4,5-tetramethyl-1H-indole
CID 174502737
3,4,5,6-tetramethyl-1H-quinoline-2-thione
CID 126724065
5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene
CID 154715961
3,4,6-trimethyl-9H-carbazole
CID 610656
2,3,4,5-tetramethyl-1H-pyrrolo[2,3-b]pyridine
CID 167207621
3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole
CID 151253532
7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole
CID 12549746
5-methoxy-2,3-dimethyl-1H-indol-4-amine
CID 84771527
8,9-dimethyl-5H-pyrido[4,3-b]indole
CID 91330855
2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid
CID 84795947
4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine
CID 71412051
2,3,4,5-tetramethyl-1H-indol-6-amine
CID 18459482

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).