5-bromo-3-pentyl-2-phenyl-1H-indole

C19H20BrN — CID 68813934

IUPAC5-bromo-3-pentyl-2-phenyl-1H-indole
SMILESCCCCCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12
InChIInChI=1S/C19H20BrN/c1-2-3-5-10-16-17-13-15(20)11-12-18(17)21-19(16)14-8-6-4-7-9-14/h4,6-9,11-13,21H,2-3,5,10H2,1H3
InChIKeyIASSGMLFFGAJAH-UHFFFAOYSA-N
MW342.28 g/mol
LogP6.33
Rot. Bonds5

About 5-bromo-3-pentyl-2-phenyl-1H-indole

5-bromo-3-pentyl-2-phenyl-1H-indole (PubChem CID 68813934) has the molecular formula C19H20BrN and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-3-pentyl-2-phenyl-1H-indole.

Molecular Properties

Compound Name5-bromo-3-pentyl-2-phenyl-1H-indole
PubChem CID68813934
Molecular FormulaC19H20BrN
Molecular Weight342.28 g/mol
Exact Mass341.08
IUPAC Name5-bromo-3-pentyl-2-phenyl-1H-indole
SMILESCCCCCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12
InChIInChI=1S/C19H20BrN/c1-2-3-5-10-16-17-13-15(20)11-12-18(17)21-19(16)14-8-6-4-7-9-14/h4,6-9,11-13,21H,2-3,5,10H2,1H3
InChIKeyIASSGMLFFGAJAH-UHFFFAOYSA-N
XLogP6.33
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5035921
4-[2-(4-bromophenyl)-5-iodo-1H-indol-3-yl]butan-1-amine
CID 4021265
4-[5-bromo-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 4039818
9-bromo-10-hexylanthracene
CID 141284839
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
2-(5-butoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 4991882
2-[5-bromo-2-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4017002
10-octylanthracen-9-amine
CID 87887624
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
4-[5-butyl-2-(3-chlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3340482
4-octyl-5-phenyl-1,2-dihydropyrazol-3-one
CID 10516343
3,4-didecyl-2-phenylnaphthalen-1-amine
CID 141323238

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-pentyl-2-phenyl-1H-indole?
The IUPAC name of 5-bromo-3-pentyl-2-phenyl-1H-indole (CID 68813934) is 5-bromo-3-pentyl-2-phenyl-1H-indole.
What is the SMILES notation for 5-bromo-3-pentyl-2-phenyl-1H-indole?
The canonical SMILES for 5-bromo-3-pentyl-2-phenyl-1H-indole is CCCCCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-pentyl-2-phenyl-1H-indole?
The InChIKey is IASSGMLFFGAJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN/c1-2-3-5-10-16-17-13-15(20)11-12-18(17)21-19(16)14-8-6-4-7-9-14/h4,6-9,11-13,21H,2-3,5,10H2,1H3.
What are the key properties of 5-bromo-3-pentyl-2-phenyl-1H-indole?
5-bromo-3-pentyl-2-phenyl-1H-indole has a molecular weight of 342.28 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-pentyl-2-phenyl-1H-indole is sourced from PubChem (CID 68813934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).