5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde

C27H26N2O — CID 174611315

IUPAC5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde
SMILES[H]/N=C(\Cc1ccccc1)CC(C)(Cc1ccccc1)c1ccc2[nH]cc(C=O)c2c1
InChIInChI=1S/C27H26N2O/c1-27(16-21-10-6-3-7-11-21,17-24(28)14-20-8-4-2-5-9-20)23-12-13-26-25(15-23)22(19-30)18-29-26/h2-13,15,18-19,28-29H,14,16-17H2,1H3/b28-24+
InChIKeyFOKLVRLPDFYGJL-ZZIIXHQDSA-N
MW394.52 g/mol
LogP6.13
Rot. Bonds8

About 5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde

5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde (PubChem CID 174611315) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde
PubChem CID174611315
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde
SMILES[H]/N=C(\Cc1ccccc1)CC(C)(Cc1ccccc1)c1ccc2[nH]cc(C=O)c2c1
InChIInChI=1S/C27H26N2O/c1-27(16-21-10-6-3-7-11-21,17-24(28)14-20-8-4-2-5-9-20)23-12-13-26-25(15-23)22(19-30)18-29-26/h2-13,15,18-19,28-29H,14,16-17H2,1H3/b28-24+
InChIKeyFOKLVRLPDFYGJL-ZZIIXHQDSA-N
XLogP6.13
TPSA56.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine
CID 174611307
5-(2,2,2-trifluoroethyl)-1H-indole-3-carbaldehyde
CID 96602958
5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-indole-3-carbaldehyde
CID 123253866
3-(3-formyl-1H-indol-5-yl)benzoic acid
CID 4186391
5-(fluoromethyl)-1H-indole-3-carbaldehyde
CID 163735426
N-[(3-formyl-1H-indol-5-yl)methyl]acetamide
CID 22139326
methyl 2-(1-hydroxyethyl)-4-imino-2-methyl-5-phenylpentanoate
CID 175260180
(6-imino-2,4,4-trimethyl-7-phenylheptan-2-yl) carbamate
CID 174559227
5-benzyl-3-[(E)-2-nitroethenyl]-1H-indole
CID 15342556
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700
5-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 4186285
3-(3-formyl-1H-indol-5-yl)propyl acetate
CID 90302364

Frequently Asked Questions

What is the IUPAC name of 5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde (CID 174611315) is 5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde is [H]/N=C(\Cc1ccccc1)CC(C)(Cc1ccccc1)c1ccc2[nH]cc(C=O)c2c1.
What is the InChIKey of 5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde?
The InChIKey is FOKLVRLPDFYGJL-ZZIIXHQDSA-N. The full InChI is InChI=1S/C27H26N2O/c1-27(16-21-10-6-3-7-11-21,17-24(28)14-20-8-4-2-5-9-20)23-12-13-26-25(15-23)22(19-30)18-29-26/h2-13,15,18-19,28-29H,14,16-17H2,1H3/b28-24+.
What are the key properties of 5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde?
5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde has a molecular weight of 394.52 g/mol, XLogP of 6.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-imino-2-methyl-1,5-diphenylpentan-2-yl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 174611315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).