2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole

C21H14FN3S — CID 134126886

IUPAC2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole
SMILESFc1ccc(Cn2c(-c3nc4ccccc4s3)nc3ccccc32)cc1
InChIInChI=1S/C21H14FN3S/c22-15-11-9-14(10-12-15)13-25-18-7-3-1-5-16(18)23-20(25)21-24-17-6-2-4-8-19(17)26-21/h1-12H,13H2
InChIKeyCASUIHJGISKUHH-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.50
Rot. Bonds3

About 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole

2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole (PubChem CID 134126886) has the molecular formula C21H14FN3S and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole
PubChem CID134126886
Molecular FormulaC21H14FN3S
Molecular Weight359.43 g/mol
Exact Mass359.09
IUPAC Name2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole
SMILESFc1ccc(Cn2c(-c3nc4ccccc4s3)nc3ccccc32)cc1
InChIInChI=1S/C21H14FN3S/c22-15-11-9-14(10-12-15)13-25-18-7-3-1-5-16(18)23-20(25)21-24-17-6-2-4-8-19(17)26-21/h1-12H,13H2
InChIKeyCASUIHJGISKUHH-UHFFFAOYSA-N
XLogP5.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole
CID 134126891
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
CID 20930563
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine
CID 72702181
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243208
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
2-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]aniline
CID 110826350
2-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-1,3-benzothiazole bromide
CID 91680084

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole (CID 134126886) is 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole is Fc1ccc(Cn2c(-c3nc4ccccc4s3)nc3ccccc32)cc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole?
The InChIKey is CASUIHJGISKUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3S/c22-15-11-9-14(10-12-15)13-25-18-7-3-1-5-16(18)23-20(25)21-24-17-6-2-4-8-19(17)26-21/h1-12H,13H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole?
2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole has a molecular weight of 359.43 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 134126886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).