1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea

C20H20N4O2 — CID 4562034

IUPAC1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea
SMILESCOc1ccc(-n2cccc2C=NNC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C20H20N4O2/c1-15-6-3-4-8-19(15)22-20(25)23-21-14-17-7-5-13-24(17)16-9-11-18(26-2)12-10-16/h3-14H,1-2H3,(H2,22,23,25)
InChIKeyAPRVUALCYVZAGO-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.95
Rot. Bonds5

About 1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea

1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea (PubChem CID 4562034) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea
PubChem CID4562034
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea
SMILESCOc1ccc(-n2cccc2C=NNC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C20H20N4O2/c1-15-6-3-4-8-19(15)22-20(25)23-21-14-17-7-5-13-24(17)16-9-11-18(26-2)12-10-16/h3-14H,1-2H3,(H2,22,23,25)
InChIKeyAPRVUALCYVZAGO-UHFFFAOYSA-N
XLogP3.95
TPSA67.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea
CID 124548870
N-[(Z)-[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzamide
CID 124545717
1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea
CID 126019313
4-[2-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126239658
1-(3,4-dimethylphenyl)-3-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]urea
CID 126028198
1-[(Z)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]-3-phenylurea
CID 6280000
3-methoxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 4685961
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 6065465
1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(2-chlorophenyl)urea
CID 126015964
1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea
CID 4212852
[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea
CID 5425600

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea (CID 4562034) is 1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea is COc1ccc(-n2cccc2C=NNC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea?
The InChIKey is APRVUALCYVZAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15-6-3-4-8-19(15)22-20(25)23-21-14-17-7-5-13-24(17)16-9-11-18(26-2)12-10-16/h3-14H,1-2H3,(H2,22,23,25).
What are the key properties of 1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea?
1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea has a molecular weight of 348.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea is sourced from PubChem (CID 4562034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).