N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine

C21H14BrClN2OS — CID 3729495

IUPACN-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine
SMILESClc1ncc(COc2ccc3ccccc3c2/C=N/c2ccc(Br)cc2)s1
InChIInChI=1S/C21H14BrClN2OS/c22-15-6-8-16(9-7-15)24-12-19-18-4-2-1-3-14(18)5-10-20(19)26-13-17-11-25-21(23)27-17/h1-12H,13H2/b24-12+
InChIKeyHPLTZCISPCEZGI-WYMPLXKRSA-N
MW457.78 g/mol
LogP7.04
Rot. Bonds5

About N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine

N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine (PubChem CID 3729495) has the molecular formula C21H14BrClN2OS and a molecular weight of 457.78 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine
PubChem CID3729495
Molecular FormulaC21H14BrClN2OS
Molecular Weight457.78 g/mol
Exact Mass455.97
IUPAC NameN-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine
SMILESClc1ncc(COc2ccc3ccccc3c2/C=N/c2ccc(Br)cc2)s1
InChIInChI=1S/C21H14BrClN2OS/c22-15-6-8-16(9-7-15)24-12-19-18-4-2-1-3-14(18)5-10-20(19)26-13-17-11-25-21(23)27-17/h1-12H,13H2/b24-12+
InChIKeyHPLTZCISPCEZGI-WYMPLXKRSA-N
XLogP7.04
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.78
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-1-(2-phenylmethoxynaphthalen-1-yl)methanimine
CID 4779325
1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine
CID 126208478
1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine
CID 126215170
1-(2-ethoxynaphthalen-1-yl)-N-(4-ethylphenyl)methanimine
CID 3549672
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine
CID 126215977
N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126210028
4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 3940132
N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126223343
N-[(Z)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126110455
2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061640
2-(4-bromoanilino)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126355675
2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide
CID 19061642

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine?
The IUPAC name of N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine (CID 3729495) is N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine is Clc1ncc(COc2ccc3ccccc3c2/C=N/c2ccc(Br)cc2)s1.
What is the InChIKey of N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine?
The InChIKey is HPLTZCISPCEZGI-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H14BrClN2OS/c22-15-6-8-16(9-7-15)24-12-19-18-4-2-1-3-14(18)5-10-20(19)26-13-17-11-25-21(23)27-17/h1-12H,13H2/b24-12+.
What are the key properties of N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine?
N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine has a molecular weight of 457.78 g/mol, XLogP of 7.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methanimine is sourced from PubChem (CID 3729495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).