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

C19H17BrN4O2 — CID 126019313

IUPAC1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N/N=C/c2cccn2-c2cccc(Br)c2)cc1
InChIInChI=1S/C19H17BrN4O2/c1-26-18-9-7-15(8-10-18)22-19(25)23-21-13-17-6-3-11-24(17)16-5-2-4-14(20)12-16/h2-13H,1H3,(H2,22,23,25)/b21-13+
InChIKeyRNUGWMIRELHMIR-FYJGNVAPSA-N
MW413.28 g/mol
LogP4.40
Rot. Bonds5

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

1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea (PubChem CID 126019313) has the molecular formula C19H17BrN4O2 and a molecular weight of 413.28 g/mol. Its IUPAC name is 1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea
PubChem CID126019313
Molecular FormulaC19H17BrN4O2
Molecular Weight413.28 g/mol
Exact Mass412.05
IUPAC Name1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N/N=C/c2cccn2-c2cccc(Br)c2)cc1
InChIInChI=1S/C19H17BrN4O2/c1-26-18-9-7-15(8-10-18)22-19(25)23-21-13-17-6-3-11-24(17)16-5-2-4-14(20)12-16/h2-13H,1H3,(H2,22,23,25)/b21-13+
InChIKeyRNUGWMIRELHMIR-FYJGNVAPSA-N
XLogP4.40
TPSA67.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 54.40
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'}

Analyze 1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)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-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(2-chlorophenyl)urea
CID 126015964
(Z)-3-[1-(3-bromophenyl)pyrrol-2-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 44784713
1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4562034
1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea
CID 3088717
N-[(Z)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-fluorobenzamide
CID 126016581
N-[(Z)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(dimethylamino)benzamide
CID 126027034
N-[(Z)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3,4-dichlorobenzamide
CID 126025346
2-(3-bromophenoxy)-N-[(Z)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide
CID 21374448
1-[(Z)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]-3-phenylurea
CID 6280000
4-[2-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126239658
N-[(Z)-[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzamide
CID 124545717
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea (CID 126019313) is 1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)N/N=C/c2cccn2-c2cccc(Br)c2)cc1.
What is the InChIKey of 1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea?
The InChIKey is RNUGWMIRELHMIR-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H17BrN4O2/c1-26-18-9-7-15(8-10-18)22-19(25)23-21-13-17-6-3-11-24(17)16-5-2-4-14(20)12-16/h2-13H,1H3,(H2,22,23,25)/b21-13+.
What are the key properties of 1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea?
1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea has a molecular weight of 413.28 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 126019313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).