N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide

C22H14FN5OS — CID 44530690

IUPACN-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1)c1csnn1
InChIInChI=1S/C22H14FN5OS/c23-16-7-8-18-19(11-16)26-21(25-18)15-5-1-3-13(9-15)14-4-2-6-17(10-14)24-22(29)20-12-30-28-27-20/h1-12H,(H,24,29)(H,25,26)
InChIKeyKECSFJDIPUAEAO-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.14
Rot. Bonds4

About N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide

N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide (PubChem CID 44530690) has the molecular formula C22H14FN5OS and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
PubChem CID44530690
Molecular FormulaC22H14FN5OS
Molecular Weight415.45 g/mol
Exact Mass415.09
IUPAC NameN-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1)c1csnn1
InChIInChI=1S/C22H14FN5OS/c23-16-7-8-18-19(11-16)26-21(25-18)15-5-1-3-13(9-15)14-4-2-6-17(10-14)24-22(29)20-12-30-28-27-20/h1-12H,(H,24,29)(H,25,26)
InChIKeyKECSFJDIPUAEAO-UHFFFAOYSA-N
XLogP5.14
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44523944
1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine;2,2,2-trifluoroacetic acid
CID 44524186
1-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
CID 44525396
2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 44530541
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530689
N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530691
N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530693
N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530694
N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530695
N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530696
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44530871
N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44530873

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide (CID 44530690) is N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide is O=C(Nc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1)c1csnn1.
What is the InChIKey of N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide?
The InChIKey is KECSFJDIPUAEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5OS/c23-16-7-8-18-19(11-16)26-21(25-18)15-5-1-3-13(9-15)14-4-2-6-17(10-14)24-22(29)20-12-30-28-27-20/h1-12H,(H,24,29)(H,25,26).
What are the key properties of N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide?
N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 44530690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).