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

C25H18FN5O2S — CID 44530541

IUPAC2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)cs1
InChIInChI=1S/C25H18FN5O2S/c1-14(32)27-25-31-22(13-34-25)24(33)28-19-9-6-16(7-10-19)15-2-4-17(5-3-15)23-29-20-11-8-18(26)12-21(20)30-23/h2-13H,1H3,(H,28,33)(H,29,30)(H,27,31,32)
InChIKeyFPHGSAUCNVYEEN-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.70
Rot. Bonds5

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

2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 44530541) has the molecular formula C25H18FN5O2S and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID44530541
Molecular FormulaC25H18FN5O2S
Molecular Weight471.52 g/mol
Exact Mass471.12
IUPAC Name2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)cs1
InChIInChI=1S/C25H18FN5O2S/c1-14(32)27-25-31-22(13-34-25)24(33)28-19-9-6-16(7-10-19)15-2-4-17(5-3-15)23-29-20-11-8-18(26)12-21(20)30-23/h2-13H,1H3,(H,28,33)(H,29,30)(H,27,31,32)
InChIKeyFPHGSAUCNVYEEN-UHFFFAOYSA-N
XLogP5.70
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 1211247
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide
CID 2114469
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpropanamide
CID 2124546
4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide
CID 44523950
1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea
CID 44525390
1-[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
CID 44525395
1-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
CID 44525398
1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(2,3,4-trifluorophenyl)urea
CID 44525401
N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530690
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

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide (CID 44530541) is 2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)Nc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)cs1.
What is the InChIKey of 2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FPHGSAUCNVYEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O2S/c1-14(32)27-25-31-22(13-34-25)24(33)28-19-9-6-16(7-10-19)15-2-4-17(5-3-15)23-29-20-11-8-18(26)12-21(20)30-23/h2-13H,1H3,(H,28,33)(H,29,30)(H,27,31,32).
What are the key properties of 2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 5.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44530541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).