2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one

C19H18N2O2 — CID 135401657

IUPAC2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
SMILESC/C(=N\c1ccc(N(C)C)cc1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O2/c1-12(20-13-8-10-14(11-9-13)21(2)3)17-18(22)15-6-4-5-7-16(15)19(17)23/h4-11,22H,1-3H3/b20-12+
InChIKeyYZSHDLABLJAZQT-UDWIEESQSA-N
MW306.37 g/mol
LogP4.01
Rot. Bonds3

About 2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one

2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one (PubChem CID 135401657) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
PubChem CID135401657
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
SMILESC/C(=N\c1ccc(N(C)C)cc1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O2/c1-12(20-13-8-10-14(11-9-13)21(2)3)17-18(22)15-6-4-5-7-16(15)19(17)23/h4-11,22H,1-3H3/b20-12+
InChIKeyYZSHDLABLJAZQT-UDWIEESQSA-N
XLogP4.01
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[N-(4-bromophenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135441617
4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide
CID 135408455
2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135470599
3-hydroxy-2-[C-methyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]inden-1-one
CID 135442008
3-hydroxy-2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]inden-1-one
CID 135498207
2-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135488854
3-hydroxy-2-[C-methyl-N-(2-phenylsulfanylphenyl)carbonimidoyl]inden-1-one
CID 135537857
2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one
CID 135687056
3-hydroxy-2-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]inden-1-one
CID 135411342
4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline
CID 90737220
N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide
CID 137318007
2-[N-(4-chloro-2,5-dimethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135438310

Frequently Asked Questions

What is the IUPAC name of 2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one (CID 135401657) is 2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one is C/C(=N\c1ccc(N(C)C)cc1)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The InChIKey is YZSHDLABLJAZQT-UDWIEESQSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12(20-13-8-10-14(11-9-13)21(2)3)17-18(22)15-6-4-5-7-16(15)19(17)23/h4-11,22H,1-3H3/b20-12+.
What are the key properties of 2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one has a molecular weight of 306.37 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 2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135401657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).