1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea

C23H24N4O — CID 3971614

IUPAC1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea
SMILESCc1ccccc1NC(=O)NN=Cc1ccc(N2CCCC2)c2ccccc12
InChIInChI=1S/C23H24N4O/c1-17-8-2-5-11-21(17)25-23(28)26-24-16-18-12-13-22(27-14-6-7-15-27)20-10-4-3-9-19(18)20/h2-5,8-13,16H,6-7,14-15H2,1H3,(H2,25,26,28)
InChIKeySXJMZQQPYUUESF-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.90
Rot. Bonds4

About 1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea

1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea (PubChem CID 3971614) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea
PubChem CID3971614
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea
SMILESCc1ccccc1NC(=O)NN=Cc1ccc(N2CCCC2)c2ccccc12
InChIInChI=1S/C23H24N4O/c1-17-8-2-5-11-21(17)25-23(28)26-24-16-18-12-13-22(27-14-6-7-15-27)20-10-4-3-9-19(18)20/h2-5,8-13,16H,6-7,14-15H2,1H3,(H2,25,26,28)
InChIKeySXJMZQQPYUUESF-UHFFFAOYSA-N
XLogP4.90
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.90
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-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea 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

1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea
CID 4238174
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea
CID 4212852
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea
CID 5420606
1-[[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 3980909
1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5420664
1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea
CID 124548870
1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea
CID 926829
1-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 5021371
N,N-diethyl-5-[(2-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1067210

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea (CID 3971614) is 1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea is Cc1ccccc1NC(=O)NN=Cc1ccc(N2CCCC2)c2ccccc12.
What is the InChIKey of 1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea?
The InChIKey is SXJMZQQPYUUESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-8-2-5-11-21(17)25-23(28)26-24-16-18-12-13-22(27-14-6-7-15-27)20-10-4-3-9-19(18)20/h2-5,8-13,16H,6-7,14-15H2,1H3,(H2,25,26,28).
What are the key properties of 1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea?
1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea has a molecular weight of 372.47 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea is sourced from PubChem (CID 3971614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).