2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole

C23H14N4S — CID 54397236

IUPAC2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole
SMILESc1ccc2[nH]c(-c3c(-c4nc5ccccc5s4)cnc4ccccc34)nc2c1
InChIInChI=1S/C23H14N4S/c1-2-8-16-14(7-1)21(22-25-17-9-3-4-10-18(17)26-22)15(13-24-16)23-27-19-11-5-6-12-20(19)28-23/h1-13H,(H,25,26)
InChIKeyFHMYGKJFFODMEY-UHFFFAOYSA-N
MW378.46 g/mol
LogP6.05
Rot. Bonds2

About 2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole

2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole (PubChem CID 54397236) has the molecular formula C23H14N4S and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole
PubChem CID54397236
Molecular FormulaC23H14N4S
Molecular Weight378.46 g/mol
Exact Mass378.09
IUPAC Name2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole
SMILESc1ccc2[nH]c(-c3c(-c4nc5ccccc5s4)cnc4ccccc34)nc2c1
InChIInChI=1S/C23H14N4S/c1-2-8-16-14(7-1)21(22-25-17-9-3-4-10-18(17)26-22)15(13-24-16)23-27-19-11-5-6-12-20(19)28-23/h1-13H,(H,25,26)
InChIKeyFHMYGKJFFODMEY-UHFFFAOYSA-N
XLogP6.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.46
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[5,6-Dimethyl-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 46871716
7-[5,6-Dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]-6-methylquinazoline-2,4-diamine
CID 67889364
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
8-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-yl]-quinoline
CID 14722779
2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole
CID 14742548
1H-Imidazole-5-methanamine, 1-[(3-amino[1,1'-biphenyl]-4-yl)methyl]-N-[6-(2-benzothiazolyl)[1,1'-biphenyl]-3-yl]-
CID 44157365
(S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(aminomethyl)thiophen-3-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53320547
2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(1,3-thiazol-2-ylamino)pyrimidine-5-carbonitrile
CID 46703462
(1H-Indol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 9884465
1,3-benzothiazol-2-yl(2-{[2-(1H-imidazol-4-yl)ethyl]amino}-4-pyrimidinyl)acetonitrile
CID 10269964
7-Thiazol-2-yl-5-trifluoromethyl-2-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-1H-benzoimidazole
CID 10458572
5-[12-[4-(Piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3-thiazole
CID 44546426

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole (CID 54397236) is 2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole is c1ccc2[nH]c(-c3c(-c4nc5ccccc5s4)cnc4ccccc34)nc2c1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole?
The InChIKey is FHMYGKJFFODMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4S/c1-2-8-16-14(7-1)21(22-25-17-9-3-4-10-18(17)26-22)15(13-24-16)23-27-19-11-5-6-12-20(19)28-23/h1-13H,(H,25,26).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole?
2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole has a molecular weight of 378.46 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)quinolin-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 54397236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).