1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide

C24H19N3O — CID 39333465

IUPAC1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H19N3O/c28-24(26-19-11-10-18-12-13-25-22(18)14-19)21-16-27(15-17-6-2-1-3-7-17)23-9-5-4-8-20(21)23/h1-14,16,25H,15H2,(H,26,28)
InChIKeyLRBPKAWQTNNTCX-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.42
Rot. Bonds4

About 1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide

1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide (PubChem CID 39333465) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide
PubChem CID39333465
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H19N3O/c28-24(26-19-11-10-18-12-13-25-22(18)14-19)21-16-27(15-17-6-2-1-3-7-17)23-9-5-4-8-20(21)23/h1-14,16,25H,15H2,(H,26,28)
InChIKeyLRBPKAWQTNNTCX-UHFFFAOYSA-N
XLogP5.42
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide
CID 26783316
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide
CID 55564494
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
[4-[(1-benzylindole-3-carbonyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium
CID 25266330
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077
1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide
CID 26718991
2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155797600
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide (CID 39333465) is 1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide is O=C(Nc1ccc2cc[nH]c2c1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide?
The InChIKey is LRBPKAWQTNNTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c28-24(26-19-11-10-18-12-13-25-22(18)14-19)21-16-27(15-17-6-2-1-3-7-17)23-9-5-4-8-20(21)23/h1-14,16,25H,15H2,(H,26,28).
What are the key properties of 1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide?
1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide is sourced from PubChem (CID 39333465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).