3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one

C22H16ClN3O2 — CID 169092841

IUPAC3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one
SMILESCN1C(=O)C(c2nc3ccccc3[nH]2)(c2cccc(Cl)c2O)c2ccccc21
InChIInChI=1S/C22H16ClN3O2/c1-26-18-12-5-2-7-13(18)22(21(26)28,14-8-6-9-15(23)19(14)27)20-24-16-10-3-4-11-17(16)25-20/h2-12,27H,1H3,(H,24,25)
InChIKeyPNWBNOLDURUZDD-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.23
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one

3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one (PubChem CID 169092841) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one
PubChem CID169092841
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one
SMILESCN1C(=O)C(c2nc3ccccc3[nH]2)(c2cccc(Cl)c2O)c2ccccc21
InChIInChI=1S/C22H16ClN3O2/c1-26-18-12-5-2-7-13(18)22(21(26)28,14-8-6-9-15(23)19(14)27)20-24-16-10-3-4-11-17(16)25-20/h2-12,27H,1H3,(H,24,25)
InChIKeyPNWBNOLDURUZDD-UHFFFAOYSA-N
XLogP4.23
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one
CID 169092859
4-(1H-benzimidazol-2-yl)-4-(2-hydroxy-4-methylphenyl)-2-methylisoquinoline-1,3-dione
CID 169092838
N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine
CID 6161658
3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one
CID 135818479
1'-methylspiro[benzimidazole-2,3'-indole]-2'-one
CID 659228
3-hydroxy-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-1-methylindol-2-one
CID 102171347
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate
CID 175010873
(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one
CID 139095917
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
2-(1-methylcyclooctyl)-1H-benzimidazole
CID 173176716
1-(1H-benzimidazol-2-yl)cyclopropane-1-carboxamide
CID 91134350

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one (CID 169092841) is 3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one is CN1C(=O)C(c2nc3ccccc3[nH]2)(c2cccc(Cl)c2O)c2ccccc21.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one?
The InChIKey is PNWBNOLDURUZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-26-18-12-5-2-7-13(18)22(21(26)28,14-8-6-9-15(23)19(14)27)20-24-16-10-3-4-11-17(16)25-20/h2-12,27H,1H3,(H,24,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one?
3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one has a molecular weight of 389.84 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one is sourced from PubChem (CID 169092841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).