N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine

C22H13BrCl2N2O — CID 2833260

IUPACN-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine
SMILESClc1ccc(C=C/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c(Cl)c1
InChIInChI=1S/C22H13BrCl2N2O/c23-16-6-3-15(4-7-16)22-27-20-13-18(9-10-21(20)28-22)26-11-1-2-14-5-8-17(24)12-19(14)25/h1-13H/b2-1?,26-11+
InChIKeyHHSCNNWYQFNFEK-ASVLQLIKSA-N
MW472.17 g/mol
LogP7.98
Rot. Bonds4

About N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine

N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine (PubChem CID 2833260) has the molecular formula C22H13BrCl2N2O and a molecular weight of 472.17 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine
PubChem CID2833260
Molecular FormulaC22H13BrCl2N2O
Molecular Weight472.17 g/mol
Exact Mass469.96
IUPAC NameN-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine
SMILESClc1ccc(C=C/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c(Cl)c1
InChIInChI=1S/C22H13BrCl2N2O/c23-16-6-3-15(4-7-16)22-27-20-13-18(9-10-21(20)28-22)26-11-1-2-14-5-8-17(24)12-19(14)25/h1-13H/b2-1?,26-11+
InChIKeyHHSCNNWYQFNFEK-ASVLQLIKSA-N
XLogP7.98
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.17
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine 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

3-(2,4-dichlorophenyl)-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
CID 2833275
3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
CID 4320438
3-(4-bromophenyl)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-en-1-imine
CID 4038223
3-(3-bromophenyl)-N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
CID 3106128
2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
CID 53497105
2-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-methylphenol
CID 3503119
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-(4-bromophenyl)prop-2-en-1-imine
CID 2833245
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-3-(2-nitrophenyl)prop-2-en-1-imine
CID 3096684
4-bromo-2-[[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol
CID 3502614
(E)-3-(4-chlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
CID 2246476
4-bromo-2-chloro-6-[[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 3106149
4-bromo-2-chloro-6-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 3375857

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine?
The IUPAC name of N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine (CID 2833260) is N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine.
What is the SMILES notation for N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine?
The canonical SMILES for N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine is Clc1ccc(C=C/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c(Cl)c1.
What is the InChIKey of N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine?
The InChIKey is HHSCNNWYQFNFEK-ASVLQLIKSA-N. The full InChI is InChI=1S/C22H13BrCl2N2O/c23-16-6-3-15(4-7-16)22-27-20-13-18(9-10-21(20)28-22)26-11-1-2-14-5-8-17(24)12-19(14)25/h1-13H/b2-1?,26-11+.
What are the key properties of N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine?
N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine has a molecular weight of 472.17 g/mol, XLogP of 7.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine is sourced from PubChem (CID 2833260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).