N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide

C20H18N4O — CID 54025682

IUPACN,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide
SMILESCN(C)/C=N/c1ccc2[nH]c(C=C3C(=O)Nc4ccccc43)cc2c1
InChIInChI=1S/C20H18N4O/c1-24(2)12-21-14-7-8-18-13(9-14)10-15(22-18)11-17-16-5-3-4-6-19(16)23-20(17)25/h3-12,22H,1-2H3,(H,23,25)/b17-11?,21-12+
InChIKeyLBZSNUJIJLQTTC-MUMVNLODSA-N
MW330.39 g/mol
LogP3.88
Rot. Bonds3

About N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide

N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide (PubChem CID 54025682) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide
PubChem CID54025682
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide
SMILESCN(C)/C=N/c1ccc2[nH]c(C=C3C(=O)Nc4ccccc43)cc2c1
InChIInChI=1S/C20H18N4O/c1-24(2)12-21-14-7-8-18-13(9-14)10-15(22-18)11-17-16-5-3-4-6-19(16)23-20(17)25/h3-12,22H,1-2H3,(H,23,25)/b17-11?,21-12+
InChIKeyLBZSNUJIJLQTTC-MUMVNLODSA-N
XLogP3.88
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide 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

5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide
CID 139145821
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
3-[[2-chloro-4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 2741418
(3Z)-3-[[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]methylidene]-5-phenyl-1H-indol-2-one
CID 22042135
(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
CID 69304942
3-[[2-(dimethylamino)cyclohepta[b]pyrrol-3-yl]methylidene]-1H-indol-2-one
CID 68580876
3-(1H-indol-2-ylmethylidene)indene-1,2-dione
CID 175834648
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one
CID 171989370
3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one
CID 75299455
(3Z)-3-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 10587839
(3Z)-5-bromo-3-[[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]methylidene]-1H-indol-2-one
CID 22042082

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide (CID 54025682) is N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide is CN(C)/C=N/c1ccc2[nH]c(C=C3C(=O)Nc4ccccc43)cc2c1.
What is the InChIKey of N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide?
The InChIKey is LBZSNUJIJLQTTC-MUMVNLODSA-N. The full InChI is InChI=1S/C20H18N4O/c1-24(2)12-21-14-7-8-18-13(9-14)10-15(22-18)11-17-16-5-3-4-6-19(16)23-20(17)25/h3-12,22H,1-2H3,(H,23,25)/b17-11?,21-12+.
What are the key properties of N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide?
N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide has a molecular weight of 330.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide is sourced from PubChem (CID 54025682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).