1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine

C25H24N2 — CID 154348234

IUPAC1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine
SMILESCCc1c(/C(=N/c2ccc(C)cc2)c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C25H24N2/c1-4-22-24(21-12-8-9-13-23(21)27(22)3)25(19-10-6-5-7-11-19)26-20-16-14-18(2)15-17-20/h5-17H,4H2,1-3H3/b26-25+
InChIKeyGWDHDBGAABZPRJ-OCEACIFDSA-N
MW352.48 g/mol
LogP6.22
Rot. Bonds4

About 1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine

1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine (PubChem CID 154348234) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine.

Molecular Properties

Compound Name1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine
PubChem CID154348234
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine
SMILESCCc1c(/C(=N/c2ccc(C)cc2)c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C25H24N2/c1-4-22-24(21-12-8-9-13-23(21)27(22)3)25(19-10-6-5-7-11-19)26-20-16-14-18(2)15-17-20/h5-17H,4H2,1-3H3/b26-25+
InChIKeyGWDHDBGAABZPRJ-OCEACIFDSA-N
XLogP6.22
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethyl-1-methylindol-3-yl)-N,1-diphenylmethanimine
CID 154312945
1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine
CID 154349174
1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one
CID 135473752
1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole
CID 122434019
1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine
CID 132541870
2-butyl-1-methylindole-3-carboxylic acid
CID 18505279
1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine
CID 10739355
1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245
N-(3,5-dimethylphenyl)-1,1-diphenylmethanimine
CID 11033428
N'-amino-1,2-dimethylindole-3-carboximidamide
CID 83532039
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
[4-[2,2-bis[[4-(benzenecarboximidoyl)phenoxy]methyl]-3-[4-[N-(4-methylphenyl)-C-phenylcarbonimidoyl]phenoxy]propoxy]phenyl]-phenylmethanimine
CID 140685461

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine?
The IUPAC name of 1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine (CID 154348234) is 1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine.
What is the SMILES notation for 1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine?
The canonical SMILES for 1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine is CCc1c(/C(=N/c2ccc(C)cc2)c2ccccc2)c2ccccc2n1C.
What is the InChIKey of 1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine?
The InChIKey is GWDHDBGAABZPRJ-OCEACIFDSA-N. The full InChI is InChI=1S/C25H24N2/c1-4-22-24(21-12-8-9-13-23(21)27(22)3)25(19-10-6-5-7-11-19)26-20-16-14-18(2)15-17-20/h5-17H,4H2,1-3H3/b26-25+.
What are the key properties of 1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine?
1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine has a molecular weight of 352.48 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine is sourced from PubChem (CID 154348234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).