5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole

C20H19ClN2 — CID 176925862

IUPAC5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2cc(Cl)c(-c3ccc4c(ccn4C)c3)cc2[nH]1
InChIInChI=1S/C20H19ClN2/c1-12(2)18-10-15-9-17(21)16(11-19(15)22-18)13-4-5-20-14(8-13)6-7-23(20)3/h4-12,22H,1-3H3
InChIKeyLRFGAUHMRJLAPK-UHFFFAOYSA-N
MW322.84 g/mol
LogP6.10
Rot. Bonds2

About 5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole

5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole (PubChem CID 176925862) has the molecular formula C20H19ClN2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole
PubChem CID176925862
Molecular FormulaC20H19ClN2
Molecular Weight322.84 g/mol
Exact Mass322.12
IUPAC Name5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2cc(Cl)c(-c3ccc4c(ccn4C)c3)cc2[nH]1
InChIInChI=1S/C20H19ClN2/c1-12(2)18-10-15-9-17(21)16(11-19(15)22-18)13-4-5-20-14(8-13)6-7-23(20)3/h4-12,22H,1-3H3
InChIKeyLRFGAUHMRJLAPK-UHFFFAOYSA-N
XLogP6.10
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.84
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-5-(1-methylindol-5-yl)-2-(2-methylpropylsulfanyl)-1H-benzimidazole
CID 91385785
6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane
CID 176926239
5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole
CID 176926248
5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole
CID 176925759
2-chloro-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]benzoic acid
CID 59267650
5-(4-fluorophenyl)-1-methylindole
CID 172686115
5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole
CID 176926004
ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole
CID 163257285
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2-dihydropyrazole-3-thione
CID 135524045
6-chloro-2-propan-2-yl-1H-indole;ethane
CID 176573496
[3-[[6-chloro-5-[4-(1-methylindol-5-yl)phenyl]-1H-benzimidazol-2-yl]oxy]phenyl]phosphonic acid
CID 46195100
5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole
CID 141077971

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole?
The IUPAC name of 5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole (CID 176925862) is 5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole.
What is the SMILES notation for 5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole?
The canonical SMILES for 5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole is CC(C)c1cc2cc(Cl)c(-c3ccc4c(ccn4C)c3)cc2[nH]1.
What is the InChIKey of 5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole?
The InChIKey is LRFGAUHMRJLAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2/c1-12(2)18-10-15-9-17(21)16(11-19(15)22-18)13-4-5-20-14(8-13)6-7-23(20)3/h4-12,22H,1-3H3.
What are the key properties of 5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole?
5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole has a molecular weight of 322.84 g/mol, XLogP of 6.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole is sourced from PubChem (CID 176925862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).