1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea

C22H20N4O — CID 5432015

IUPAC1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea
SMILESCCn1c2ccccc2c2cc(/C=N\NC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C22H20N4O/c1-2-26-20-11-7-6-10-18(20)19-14-16(12-13-21(19)26)15-23-25-22(27)24-17-8-4-3-5-9-17/h3-15H,2H2,1H3,(H2,24,25,27)/b23-15-
InChIKeyYVZPLSXYHJTVGM-HAHDFKILSA-N
MW356.43 g/mol
LogP4.97
Rot. Bonds4

About 1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea

1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea (PubChem CID 5432015) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea
PubChem CID5432015
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea
SMILESCCn1c2ccccc2c2cc(/C=N\NC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C22H20N4O/c1-2-26-20-11-7-6-10-18(20)19-14-16(12-13-21(19)26)15-23-25-22(27)24-17-8-4-3-5-9-17/h3-15H,2H2,1H3,(H2,24,25,27)/b23-15-
InChIKeyYVZPLSXYHJTVGM-HAHDFKILSA-N
XLogP4.97
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea 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

N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 1010292
trans-(1S,2S)-N-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6577123
N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 1011382
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 71554995
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 78110173
4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
CID 4508320
N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide
CID 92847405
N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 3506862
3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 5172724
4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide
CID 25353158
N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide
CID 3382572
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(9-ethylcarbazol-3-yl)methylideneamino]acetamide
CID 1125274

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea (CID 5432015) is 1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea is CCn1c2ccccc2c2cc(/C=N\NC(=O)Nc3ccccc3)ccc21.
What is the InChIKey of 1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea?
The InChIKey is YVZPLSXYHJTVGM-HAHDFKILSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-26-20-11-7-6-10-18(20)19-14-16(12-13-21(19)26)15-23-25-22(27)24-17-8-4-3-5-9-17/h3-15H,2H2,1H3,(H2,24,25,27)/b23-15-.
What are the key properties of 1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea?
1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea has a molecular weight of 356.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea is sourced from PubChem (CID 5432015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).