2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide

C25H18FN5O2S — CID 44530705

IUPAC2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)s1
InChIInChI=1S/C25H18FN5O2S/c1-14(32)28-25-27-13-22(34-25)24(33)29-19-7-3-5-16(11-19)15-4-2-6-17(10-15)23-30-20-9-8-18(26)12-21(20)31-23/h2-13H,1H3,(H,29,33)(H,30,31)(H,27,28,32)
InChIKeySFOAPJDZECXHJP-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.70
Rot. Bonds5

About 2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide

2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 44530705) has the molecular formula C25H18FN5O2S and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID44530705
Molecular FormulaC25H18FN5O2S
Molecular Weight471.52 g/mol
Exact Mass471.12
IUPAC Name2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)s1
InChIInChI=1S/C25H18FN5O2S/c1-14(32)28-25-27-13-22(34-25)24(33)29-19-7-3-5-16(11-19)15-4-2-6-17(10-15)23-30-20-9-8-18(26)12-21(20)31-23/h2-13H,1H3,(H,29,33)(H,30,31)(H,27,28,32)
InChIKeySFOAPJDZECXHJP-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

1-(3-cyanophenyl)-3-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]urea
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CID 44523579
N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44530882
N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]acetamide
CID 10000153
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide
CID 44530732
N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide
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N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428
2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 56561489
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
CID 56737080
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide (CID 44530705) is 2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide is CC(=O)Nc1ncc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)s1.
What is the InChIKey of 2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SFOAPJDZECXHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O2S/c1-14(32)28-25-27-13-22(34-25)24(33)29-19-7-3-5-16(11-19)15-4-2-6-17(10-15)23-30-20-9-8-18(26)12-21(20)31-23/h2-13H,1H3,(H,29,33)(H,30,31)(H,27,28,32).
What are the key properties of 2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-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-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 44530705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).