(3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one

C20H18ClN3O2 — CID 162358040

IUPAC(3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one
SMILESCOc1ccc(-c2nccn2C)cc1[C@@]1(C)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C20H18ClN3O2/c1-20(14-6-5-13(21)11-16(14)23-19(20)25)15-10-12(4-7-17(15)26-3)18-22-8-9-24(18)2/h4-11H,1-3H3,(H,23,25)/t20-/m0/s1
InChIKeyMOSSHFXBCHYWSH-FQEVSTJZSA-N
MW367.84 g/mol
LogP4.01
Rot. Bonds3

About (3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one

(3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one (PubChem CID 162358040) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is (3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one
PubChem CID162358040
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name(3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one
SMILESCOc1ccc(-c2nccn2C)cc1[C@@]1(C)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C20H18ClN3O2/c1-20(14-6-5-13(21)11-16(14)23-19(20)25)15-10-12(4-7-17(15)26-3)18-22-8-9-24(18)2/h4-11H,1-3H3,(H,23,25)/t20-/m0/s1
InChIKeyMOSSHFXBCHYWSH-FQEVSTJZSA-N
XLogP4.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-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

(3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one
CID 162358117
2-(3-chloro-4-methoxyphenyl)-1-methylimidazole
CID 146601290
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 162358091
1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 63976635
2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride
CID 172811429
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
2-(4-chloro-3-methylphenyl)-1-methylimidazole
CID 172691387
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
2-(2,5-dimethoxyphenyl)-1-methylimidazole
CID 82079235

Frequently Asked Questions

What is the IUPAC name of (3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one?
The IUPAC name of (3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one (CID 162358040) is (3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one.
What is the SMILES notation for (3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one?
The canonical SMILES for (3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one is COc1ccc(-c2nccn2C)cc1[C@@]1(C)C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of (3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one?
The InChIKey is MOSSHFXBCHYWSH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-20(14-6-5-13(21)11-16(14)23-19(20)25)15-10-12(4-7-17(15)26-3)18-22-8-9-24(18)2/h4-11H,1-3H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one?
(3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one has a molecular weight of 367.84 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one is sourced from PubChem (CID 162358040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).