2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole

C23H17N3S — CID 132537112

IUPAC2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole
SMILESCn1c(-c2ccccc2)cnc1-c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H17N3S/c1-26-20(16-7-3-2-4-8-16)15-24-22(26)17-11-13-18(14-12-17)23-25-19-9-5-6-10-21(19)27-23/h2-15H,1H3
InChIKeyRCCAPULHKCWJEQ-UHFFFAOYSA-N
MW367.48 g/mol
LogP6.03
Rot. Bonds3

About 2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole

2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole (PubChem CID 132537112) has the molecular formula C23H17N3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole
PubChem CID132537112
Molecular FormulaC23H17N3S
Molecular Weight367.48 g/mol
Exact Mass367.11
IUPAC Name2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole
SMILESCn1c(-c2ccccc2)cnc1-c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H17N3S/c1-26-20(16-7-3-2-4-8-16)15-24-22(26)17-11-13-18(14-12-17)23-25-19-9-5-6-10-21(19)27-23/h2-15H,1H3
InChIKeyRCCAPULHKCWJEQ-UHFFFAOYSA-N
XLogP6.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.48
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylimidazol-4-yl]-N,N-dimethylaniline
CID 132537111
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59707544
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
2-[3-(1,3-benzothiazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzothiazole
CID 176740300
2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 118335132
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
2-[4-(ethylsulfanylmethyl)phenyl]-1,3-benzothiazole
CID 14762301
2-[4-[8-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-diphenylquinoxalin-5-yl]phenyl]-1,3-benzothiazole
CID 58161743
4-[4-(1,3-benzothiazol-2-yl)phenyl]-N-ethynylaniline
CID 151910033
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole (CID 132537112) is 2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole is Cn1c(-c2ccccc2)cnc1-c1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole?
The InChIKey is RCCAPULHKCWJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3S/c1-26-20(16-7-3-2-4-8-16)15-24-22(26)17-11-13-18(14-12-17)23-25-19-9-5-6-10-21(19)27-23/h2-15H,1H3.
What are the key properties of 2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole?
2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole has a molecular weight of 367.48 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-5-phenylimidazol-2-yl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 132537112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).