2-benzyl-1-phenylmethoxyindole-3-carbonitrile

C23H18N2O — CID 24812930

IUPAC2-benzyl-1-phenylmethoxyindole-3-carbonitrile
SMILESN#Cc1c(Cc2ccccc2)n(OCc2ccccc2)c2ccccc12
InChIInChI=1S/C23H18N2O/c24-16-21-20-13-7-8-14-22(20)25(26-17-19-11-5-2-6-12-19)23(21)15-18-9-3-1-4-10-18/h1-14H,15,17H2
InChIKeyABCLNPFTZUTIMU-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.73
Rot. Bonds5

About 2-benzyl-1-phenylmethoxyindole-3-carbonitrile

2-benzyl-1-phenylmethoxyindole-3-carbonitrile (PubChem CID 24812930) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-benzyl-1-phenylmethoxyindole-3-carbonitrile.

Molecular Properties

Compound Name2-benzyl-1-phenylmethoxyindole-3-carbonitrile
PubChem CID24812930
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name2-benzyl-1-phenylmethoxyindole-3-carbonitrile
SMILESN#Cc1c(Cc2ccccc2)n(OCc2ccccc2)c2ccccc12
InChIInChI=1S/C23H18N2O/c24-16-21-20-13-7-8-14-22(20)25(26-17-19-11-5-2-6-12-19)23(21)15-18-9-3-1-4-10-18/h1-14H,15,17H2
InChIKeyABCLNPFTZUTIMU-UHFFFAOYSA-N
XLogP4.73
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 144658108
pyrido[1,2-a]indole-10-carbonitrile
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2-amino-4-phenylmethoxyquinoline-3-carbonitrile
CID 154856659
1-phenylmethoxypyrazole-4-carbonitrile
CID 10703150
9-(phenylmethoxymethyl)carbazole
CID 2227531
2-(4-benzylnaphthalen-1-yl)acetonitrile
CID 11054322
dichloromethane;phenylmethoxymethylbenzene
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benzylbenzene;thiocyanic acid
CID 172833701

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-phenylmethoxyindole-3-carbonitrile?
The IUPAC name of 2-benzyl-1-phenylmethoxyindole-3-carbonitrile (CID 24812930) is 2-benzyl-1-phenylmethoxyindole-3-carbonitrile.
What is the SMILES notation for 2-benzyl-1-phenylmethoxyindole-3-carbonitrile?
The canonical SMILES for 2-benzyl-1-phenylmethoxyindole-3-carbonitrile is N#Cc1c(Cc2ccccc2)n(OCc2ccccc2)c2ccccc12.
What is the InChIKey of 2-benzyl-1-phenylmethoxyindole-3-carbonitrile?
The InChIKey is ABCLNPFTZUTIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c24-16-21-20-13-7-8-14-22(20)25(26-17-19-11-5-2-6-12-19)23(21)15-18-9-3-1-4-10-18/h1-14H,15,17H2.
What are the key properties of 2-benzyl-1-phenylmethoxyindole-3-carbonitrile?
2-benzyl-1-phenylmethoxyindole-3-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-phenylmethoxyindole-3-carbonitrile is sourced from PubChem (CID 24812930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).