4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline

C25H22N4S — CID 132537111

IUPAC4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc(-c3ccc(-c4nc5ccccc5s4)cc3)n2C)cc1
InChIInChI=1S/C25H22N4S/c1-28(2)20-14-12-17(13-15-20)22-16-26-24(29(22)3)18-8-10-19(11-9-18)25-27-21-6-4-5-7-23(21)30-25/h4-16H,1-3H3
InChIKeyMRXAZBJADYITCR-UHFFFAOYSA-N
MW410.55 g/mol
LogP6.10
Rot. Bonds4

About 4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline

4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline (PubChem CID 132537111) has the molecular formula C25H22N4S and a molecular weight of 410.55 g/mol. Its IUPAC name is 4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline
PubChem CID132537111
Molecular FormulaC25H22N4S
Molecular Weight410.55 g/mol
Exact Mass410.16
IUPAC Name4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc(-c3ccc(-c4nc5ccccc5s4)cc3)n2C)cc1
InChIInChI=1S/C25H22N4S/c1-28(2)20-14-12-17(13-15-20)22-16-26-24(29(22)3)18-8-10-19(11-9-18)25-27-21-6-4-5-7-23(21)30-25/h4-16H,1-3H3
InChIKeyMRXAZBJADYITCR-UHFFFAOYSA-N
XLogP6.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 132537112
4-[5-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-1-methylpyrrol-2-yl]-N,N-dimethylaniline
CID 25136669
4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
CID 59707533
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486
N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59707544
4-(5-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 58828192
4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline
CID 139235313
2-[4-(1,3-benzothiazol-2-yl)-N-methylanilino]ethanol
CID 68611652
zinc bis(2-(1,3-benzothiazol-2-yl)-4-[4-(dimethylamino)phenyl]phenolate)
CID 56654205
N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine
CID 59465011
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline (CID 132537111) is 4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc(-c3ccc(-c4nc5ccccc5s4)cc3)n2C)cc1.
What is the InChIKey of 4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline?
The InChIKey is MRXAZBJADYITCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4S/c1-28(2)20-14-12-17(13-15-20)22-16-26-24(29(22)3)18-8-10-19(11-9-18)25-27-21-6-4-5-7-23(21)30-25/h4-16H,1-3H3.
What are the key properties of 4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline?
4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline has a molecular weight of 410.55 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline is sourced from PubChem (CID 132537111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).