5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine

C22H15ClFN5S — CID 6480653

IUPAC5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(Cn3c(-c4ccc(Cl)cc4)nc4ccccc43)s2)cc1
InChIInChI=1S/C22H15ClFN5S/c23-15-7-5-14(6-8-15)21-26-18-3-1-2-4-19(18)29(21)13-20-27-28-22(30-20)25-17-11-9-16(24)10-12-17/h1-12H,13H2,(H,25,28)
InChIKeyTZQKKJIGMMHARH-UHFFFAOYSA-N
MW435.92 g/mol
LogP6.14
Rot. Bonds5

About 5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine

5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 6480653) has the molecular formula C22H15ClFN5S and a molecular weight of 435.92 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID6480653
Molecular FormulaC22H15ClFN5S
Molecular Weight435.92 g/mol
Exact Mass435.07
IUPAC Name5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(Cn3c(-c4ccc(Cl)cc4)nc4ccccc43)s2)cc1
InChIInChI=1S/C22H15ClFN5S/c23-15-7-5-14(6-8-15)21-26-18-3-1-2-4-19(18)29(21)13-20-27-28-22(30-20)25-17-11-9-16(24)10-12-17/h1-12H,13H2,(H,25,28)
InChIKeyTZQKKJIGMMHARH-UHFFFAOYSA-N
XLogP6.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.92
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 6480651
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243205
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243208
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
1-(4-chlorobutyl)-2-(4-chlorophenyl)benzimidazole
CID 68599548
2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17001023
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 2768937
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 17033124
5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 11289585

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 6480653) is 5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is Fc1ccc(Nc2nnc(Cn3c(-c4ccc(Cl)cc4)nc4ccccc43)s2)cc1.
What is the InChIKey of 5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is TZQKKJIGMMHARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN5S/c23-15-7-5-14(6-8-15)21-26-18-3-1-2-4-19(18)29(21)13-20-27-28-22(30-20)25-17-11-9-16(24)10-12-17/h1-12H,13H2,(H,25,28).
What are the key properties of 5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 435.92 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6480653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).