2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide

C27H24N4OS — CID 44530784

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide
SMILESCc1nc(C)c(CC(=O)Nc2ccc(-c3cccc(-c4nc5c(C)cccc5[nH]4)c3)cc2)s1
InChIInChI=1S/C27H24N4OS/c1-16-6-4-9-23-26(16)31-27(30-23)21-8-5-7-20(14-21)19-10-12-22(13-11-19)29-25(32)15-24-17(2)28-18(3)33-24/h4-14H,15H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyRKEHLUYZXWTQHY-UHFFFAOYSA-N
MW452.58 g/mol
LogP6.46
Rot. Bonds5

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide (PubChem CID 44530784) has the molecular formula C27H24N4OS and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide
PubChem CID44530784
Molecular FormulaC27H24N4OS
Molecular Weight452.58 g/mol
Exact Mass452.17
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide
SMILESCc1nc(C)c(CC(=O)Nc2ccc(-c3cccc(-c4nc5c(C)cccc5[nH]4)c3)cc2)s1
InChIInChI=1S/C27H24N4OS/c1-16-6-4-9-23-26(16)31-27(30-23)21-8-5-7-20(14-21)19-10-12-22(13-11-19)29-25(32)15-24-17(2)28-18(3)33-24/h4-14H,15H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyRKEHLUYZXWTQHY-UHFFFAOYSA-N
XLogP6.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide (CID 44530784) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide is Cc1nc(C)c(CC(=O)Nc2ccc(-c3cccc(-c4nc5c(C)cccc5[nH]4)c3)cc2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide?
The InChIKey is RKEHLUYZXWTQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4OS/c1-16-6-4-9-23-26(16)31-27(30-23)21-8-5-7-20(14-21)19-10-12-22(13-11-19)29-25(32)15-24-17(2)28-18(3)33-24/h4-14H,15H2,1-3H3,(H,29,32)(H,30,31).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 6.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 44530784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).