1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea

C19H18N4O — CID 124548870

IUPAC1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea
SMILESCc1ccccc1NC(=O)N/N=C/c1cccn1-c1ccccc1
InChIInChI=1S/C19H18N4O/c1-15-8-5-6-12-18(15)21-19(24)22-20-14-17-11-7-13-23(17)16-9-3-2-4-10-16/h2-14H,1H3,(H2,21,22,24)/b20-14+
InChIKeyIZJAEMFKDYHWHM-XSFVSMFZSA-N
MW318.38 g/mol
LogP3.94
Rot. Bonds4

About 1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea

1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea (PubChem CID 124548870) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea
PubChem CID124548870
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea
SMILESCc1ccccc1NC(=O)N/N=C/c1cccn1-c1ccccc1
InChIInChI=1S/C19H18N4O/c1-15-8-5-6-12-18(15)21-19(24)22-20-14-17-11-7-13-23(17)16-9-3-2-4-10-16/h2-14H,1H3,(H2,21,22,24)/b20-14+
InChIKeyIZJAEMFKDYHWHM-XSFVSMFZSA-N
XLogP3.94
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4562034
[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea
CID 5425600
1-[(Z)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]-3-phenylurea
CID 6280000
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
1-(3,4-dimethylphenyl)-3-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]urea
CID 126028198
1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(2-chlorophenyl)urea
CID 126015964
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea
CID 4212852
1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5420664
4-fluoro-N-[(1-phenylpyrrol-2-yl)methylideneamino]benzamide
CID 3722683
1-ethyl-3-[(1-phenylpyrrol-2-yl)methylideneamino]thiourea
CID 4264037
[(1-phenylpyrrol-2-yl)methylideneamino]thiourea
CID 957187

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea (CID 124548870) is 1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea is Cc1ccccc1NC(=O)N/N=C/c1cccn1-c1ccccc1.
What is the InChIKey of 1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea?
The InChIKey is IZJAEMFKDYHWHM-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H18N4O/c1-15-8-5-6-12-18(15)21-19(24)22-20-14-17-11-7-13-23(17)16-9-3-2-4-10-16/h2-14H,1H3,(H2,21,22,24)/b20-14+.
What are the key properties of 1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea?
1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea has a molecular weight of 318.38 g/mol, XLogP of 3.94, 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-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea is sourced from PubChem (CID 124548870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).