3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one

C23H26BrN3O — CID 17368140

IUPAC3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
SMILESCc1cc(Br)cc(C)c1/N=C1/C(=O)N(CN2CCC(C)CC2)c2ccccc21
InChIInChI=1S/C23H26BrN3O/c1-15-8-10-26(11-9-15)14-27-20-7-5-4-6-19(20)22(23(27)28)25-21-16(2)12-18(24)13-17(21)3/h4-7,12-13,15H,8-11,14H2,1-3H3/b25-22+
InChIKeyXVMMKGVONVJACC-YYDJUVGSSA-N
MW440.39 g/mol
LogP5.22
Rot. Bonds3

About 3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one

3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one (PubChem CID 17368140) has the molecular formula C23H26BrN3O and a molecular weight of 440.39 g/mol. Its IUPAC name is 3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one.

Molecular Properties

Compound Name3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
PubChem CID17368140
Molecular FormulaC23H26BrN3O
Molecular Weight440.39 g/mol
Exact Mass439.13
IUPAC Name3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
SMILESCc1cc(Br)cc(C)c1/N=C1/C(=O)N(CN2CCC(C)CC2)c2ccccc21
InChIInChI=1S/C23H26BrN3O/c1-15-8-10-26(11-9-15)14-27-20-7-5-4-6-19(20)22(23(27)28)25-21-16(2)12-18(24)13-17(21)3/h4-7,12-13,15H,8-11,14H2,1-3H3/b25-22+
InChIKeyXVMMKGVONVJACC-YYDJUVGSSA-N
XLogP5.22
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 1250579
1-[(4-methylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 1041520
3-(3-chloro-4-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 17385517
3-(3-bromophenyl)imino-1-[(3-methylpiperidin-1-yl)methyl]indol-2-one
CID 17370095
1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxamide
CID 17368139
3-(3,4-dimethylphenyl)imino-1-[[(3S)-3-methylpiperidin-1-yl]methyl]indol-2-one
CID 100816750
ethyl 1-[[3-(4-bromophenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxylate
CID 17380023
1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one
CID 17370028
1-[(4-benzylpiperidin-1-yl)methyl]-3-(3-chloro-4-methylphenyl)iminoindol-2-one
CID 1077253
3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
CID 746190
3-(3-bromophenyl)imino-1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]indol-2-one
CID 1239300
3-(4-iodophenyl)imino-1-[[(3S)-3-methylpiperidin-1-yl]methyl]indol-2-one
CID 92517755

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The IUPAC name of 3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one (CID 17368140) is 3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one.
What is the SMILES notation for 3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The canonical SMILES for 3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one is Cc1cc(Br)cc(C)c1/N=C1/C(=O)N(CN2CCC(C)CC2)c2ccccc21.
What is the InChIKey of 3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The InChIKey is XVMMKGVONVJACC-YYDJUVGSSA-N. The full InChI is InChI=1S/C23H26BrN3O/c1-15-8-10-26(11-9-15)14-27-20-7-5-4-6-19(20)22(23(27)28)25-21-16(2)12-18(24)13-17(21)3/h4-7,12-13,15H,8-11,14H2,1-3H3/b25-22+.
What are the key properties of 3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one has a molecular weight of 440.39 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-dimethylphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one is sourced from PubChem (CID 17368140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).