1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol

C22H17ClN2O2 — CID 136505223

IUPAC1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol
SMILESO=Nc1c(O)n(Cc2cccc(Cc3ccccc3)c2)c2ccc(Cl)cc12
InChIInChI=1S/C22H17ClN2O2/c23-18-9-10-20-19(13-18)21(24-27)22(26)25(20)14-17-8-4-7-16(12-17)11-15-5-2-1-3-6-15/h1-10,12-13,26H,11,14H2
InChIKeyXKKXCXZXRPTVHD-UHFFFAOYSA-N
MW376.84 g/mol
LogP6.04
Rot. Bonds5

About 1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol

1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol (PubChem CID 136505223) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol.

Molecular Properties

Compound Name1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol
PubChem CID136505223
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol
SMILESO=Nc1c(O)n(Cc2cccc(Cc3ccccc3)c2)c2ccc(Cl)cc12
InChIInChI=1S/C22H17ClN2O2/c23-18-9-10-20-19(13-18)21(24-27)22(26)25(20)14-17-8-4-7-16(12-17)11-15-5-2-1-3-6-15/h1-10,12-13,26H,11,14H2
InChIKeyXKKXCXZXRPTVHD-UHFFFAOYSA-N
XLogP6.04
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide
CID 135537733
1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol
CID 161156786
5-chloro-3-nitroso-1-[(4-pentoxyphenyl)methyl]indol-2-ol
CID 135575223
5-chloro-1-[(2-fluorophenyl)methyl]-3-nitrosoindol-2-ol;5-chloro-1-[(3-fluorophenyl)methyl]-3-nitrosoindol-2-ol;5-chloro-1-[(3-methylphenyl)methyl]-3-nitrosoindol-2-ol;5-chloro-1-[(2-nitrophenyl)methyl]-3-nitrosoindol-2-ol
CID 158635465
3-[3-[(1-benzyl-5-chloro-2-hydroxyindol-3-yl)diazenyl]-2-hydroxyphenyl]benzoic acid
CID 135424907
1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
CID 4989962
N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide
CID 3532404
1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 2142444
1-benzyl-3-nitrosoindol-2-ol;1-[(2-nitrophenyl)methyl]-3-nitrosoindol-2-ol
CID 157445350
4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide
CID 137224526
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411

Frequently Asked Questions

What is the IUPAC name of 1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol?
The IUPAC name of 1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol (CID 136505223) is 1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol.
What is the SMILES notation for 1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol?
The canonical SMILES for 1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol is O=Nc1c(O)n(Cc2cccc(Cc3ccccc3)c2)c2ccc(Cl)cc12.
What is the InChIKey of 1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol?
The InChIKey is XKKXCXZXRPTVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-18-9-10-20-19(13-18)21(24-27)22(26)25(20)14-17-8-4-7-16(12-17)11-15-5-2-1-3-6-15/h1-10,12-13,26H,11,14H2.
What are the key properties of 1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol?
1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol has a molecular weight of 376.84 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol is sourced from PubChem (CID 136505223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).