3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole

C22H22Cl2N2 — CID 151253532

IUPAC3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole
SMILESCc1ccc2[nH]c(CCc3[nH]c4ccc(C)c(C)c4c3Cl)c(Cl)c2c1C
InChIInChI=1S/C22H22Cl2N2/c1-11-5-7-15-19(13(11)3)21(23)17(25-15)9-10-18-22(24)20-14(4)12(2)6-8-16(20)26-18/h5-8,25-26H,9-10H2,1-4H3
InChIKeyNSVKBHBYAXOCSD-UHFFFAOYSA-N
MW385.34 g/mol
LogP6.97
Rot. Bonds3

About 3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole

3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole (PubChem CID 151253532) has the molecular formula C22H22Cl2N2 and a molecular weight of 385.34 g/mol. Its IUPAC name is 3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole.

Molecular Properties

Compound Name3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole
PubChem CID151253532
Molecular FormulaC22H22Cl2N2
Molecular Weight385.34 g/mol
Exact Mass384.12
IUPAC Name3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole
SMILESCc1ccc2[nH]c(CCc3[nH]c4ccc(C)c(C)c4c3Cl)c(Cl)c2c1C
InChIInChI=1S/C22H22Cl2N2/c1-11-5-7-15-19(13(11)3)21(23)17(25-15)9-10-18-22(24)20-14(4)12(2)6-8-16(20)26-18/h5-8,25-26H,9-10H2,1-4H3
InChIKeyNSVKBHBYAXOCSD-UHFFFAOYSA-N
XLogP6.97
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.34
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole with MolForge

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Related Compounds

methane;2,3,4,5-tetramethyl-1H-indole
CID 174502737
benzene;2,3,4,5-tetramethyl-1H-indole
CID 174464516
3,4,5,6-tetramethyl-1H-quinoline-2-thione
CID 126724065
3,4,6-trimethyl-9H-carbazole
CID 610656
8,9-dimethyl-5H-pyrido[4,3-b]indole
CID 91330855
4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole
CID 145463036
4,5-dimethyl-3-pentyl-1H-indole
CID 168931300
5-bromo-4-chloro-3-methyl-1H-indole
CID 58220952
3,5,6-trimethyl-1H-quinolin-4-one
CID 58678059
2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 12733083
5-chloro-6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 2773787
actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde
CID 59074574

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole?
The IUPAC name of 3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole (CID 151253532) is 3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole.
What is the SMILES notation for 3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole?
The canonical SMILES for 3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole is Cc1ccc2[nH]c(CCc3[nH]c4ccc(C)c(C)c4c3Cl)c(Cl)c2c1C.
What is the InChIKey of 3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole?
The InChIKey is NSVKBHBYAXOCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2/c1-11-5-7-15-19(13(11)3)21(23)17(25-15)9-10-18-22(24)20-14(4)12(2)6-8-16(20)26-18/h5-8,25-26H,9-10H2,1-4H3.
What are the key properties of 3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole?
3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole has a molecular weight of 385.34 g/mol, XLogP of 6.97, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(3-chloro-4,5-dimethyl-1H-indol-2-yl)ethyl]-4,5-dimethyl-1H-indole is sourced from PubChem (CID 151253532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).