2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile

C23H22Cl2N2O — CID 145203561

IUPAC2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile
SMILESCc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(OC3CCCC3)c1Cl)n2C
InChIInChI=1S/C23H22Cl2N2O/c1-14-9-15(13-26)10-21-18(14)11-16(27(21)2)12-19-20(24)7-8-22(23(19)25)28-17-5-3-4-6-17/h7-11,17H,3-6,12H2,1-2H3
InChIKeyLSMZDCJEBZLREF-UHFFFAOYSA-N
MW413.35 g/mol
LogP6.58
Rot. Bonds4

About 2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile

2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile (PubChem CID 145203561) has the molecular formula C23H22Cl2N2O and a molecular weight of 413.35 g/mol. Its IUPAC name is 2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile.

Molecular Properties

Compound Name2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile
PubChem CID145203561
Molecular FormulaC23H22Cl2N2O
Molecular Weight413.35 g/mol
Exact Mass412.11
IUPAC Name2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile
SMILESCc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(OC3CCCC3)c1Cl)n2C
InChIInChI=1S/C23H22Cl2N2O/c1-14-9-15(13-26)10-21-18(14)11-16(27(21)2)12-19-20(24)7-8-22(23(19)25)28-17-5-3-4-6-17/h7-11,17H,3-6,12H2,1-2H3
InChIKeyLSMZDCJEBZLREF-UHFFFAOYSA-N
XLogP6.58
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.35
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile 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

2-[[2,6-dichloro-3-[2-(oxan-4-yl)acetyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile
CID 146950862
3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenoxy]cyclobutane-1-carboxylate
CID 154501026
4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile
CID 145206371
4-cyclopentyloxy-3-methylbenzonitrile
CID 60929177
3-chloro-4-cyclopentyloxybenzonitrile
CID 58439107
2,4-dichloro-3-[(1,4-dimethyl-6-nitrosoindol-2-yl)methyl]benzoic acid
CID 146494487
2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
CID 159126625
methyl 2-[1-[1-[2,4-dichloro-3-[(5-cyano-1,4-dimethylindol-2-yl)methyl]phenyl]ethenyl]piperidin-4-yl]acetate
CID 145206598
2-[(2,6-dichloro-3-formylphenyl)methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile
CID 146493806
1-[2,4-dichloro-3-[[6-(2,2-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]benzoyl]piperidine-4-carboxylic acid
CID 146494076
2-chloro-4-cyclohexyloxy-3-methylbenzonitrile
CID 166111908
2-[[2,6-dichloro-3-[hydroxy(methoxy)methyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
CID 163881131

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile?
The IUPAC name of 2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile (CID 145203561) is 2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile.
What is the SMILES notation for 2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile?
The canonical SMILES for 2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile is Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(OC3CCCC3)c1Cl)n2C.
What is the InChIKey of 2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile?
The InChIKey is LSMZDCJEBZLREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O/c1-14-9-15(13-26)10-21-18(14)11-16(27(21)2)12-19-20(24)7-8-22(23(19)25)28-17-5-3-4-6-17/h7-11,17H,3-6,12H2,1-2H3.
What are the key properties of 2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile?
2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile has a molecular weight of 413.35 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile is sourced from PubChem (CID 145203561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).