1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea

C17H19ClN4O — CID 135967871

IUPAC1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea
SMILESCc1[nH]c2c(c1C)/C(=N/NC(=O)Nc1ccc(Cl)cc1)CCC2
InChIInChI=1S/C17H19ClN4O/c1-10-11(2)19-14-4-3-5-15(16(10)14)21-22-17(23)20-13-8-6-12(18)7-9-13/h6-9,19H,3-5H2,1-2H3,(H2,20,22,23)/b21-15+
InChIKeyCWWKNCKBBPUXKA-RCCKNPSSSA-N
MW330.82 g/mol
LogP4.15
Rot. Bonds2

About 1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea

1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea (PubChem CID 135967871) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea
PubChem CID135967871
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea
SMILESCc1[nH]c2c(c1C)/C(=N/NC(=O)Nc1ccc(Cl)cc1)CCC2
InChIInChI=1S/C17H19ClN4O/c1-10-11(2)19-14-4-3-5-15(16(10)14)21-22-17(23)20-13-8-6-12(18)7-9-13/h6-9,19H,3-5H2,1-2H3,(H2,20,22,23)/b21-15+
InChIKeyCWWKNCKBBPUXKA-RCCKNPSSSA-N
XLogP4.15
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea (CID 135967871) is 1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea is Cc1[nH]c2c(c1C)/C(=N/NC(=O)Nc1ccc(Cl)cc1)CCC2.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea?
The InChIKey is CWWKNCKBBPUXKA-RCCKNPSSSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-10-11(2)19-14-4-3-5-15(16(10)14)21-22-17(23)20-13-8-6-12(18)7-9-13/h6-9,19H,3-5H2,1-2H3,(H2,20,22,23)/b21-15+.
What are the key properties of 1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea?
1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea has a molecular weight of 330.82 g/mol, XLogP of 4.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea is sourced from PubChem (CID 135967871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).