N-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide

C28H27N5O4S — CID 44573146

IUPACN-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide
SMILESCc1ncc(-c2ccc(C(=O)Nc3nc4cc(N(C)C(=O)c5ccccc5)ccc4n3CC(C)(C)O)s2)o1
InChIInChI=1S/C28H27N5O4S/c1-17-29-15-22(37-17)23-12-13-24(38-23)25(34)31-27-30-20-14-19(10-11-21(20)33(27)16-28(2,3)36)32(4)26(35)18-8-6-5-7-9-18/h5-15,36H,16H2,1-4H3,(H,30,31,34)
InChIKeyFLFKVWGYOJDSOD-UHFFFAOYSA-N
MW529.62 g/mol
LogP5.36
Rot. Bonds7

About N-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide

N-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide (PubChem CID 44573146) has the molecular formula C28H27N5O4S and a molecular weight of 529.62 g/mol. Its IUPAC name is N-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide
PubChem CID44573146
Molecular FormulaC28H27N5O4S
Molecular Weight529.62 g/mol
Exact Mass529.18
IUPAC NameN-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide
SMILESCc1ncc(-c2ccc(C(=O)Nc3nc4cc(N(C)C(=O)c5ccccc5)ccc4n3CC(C)(C)O)s2)o1
InChIInChI=1S/C28H27N5O4S/c1-17-29-15-22(37-17)23-12-13-24(38-23)25(34)31-27-30-20-14-19(10-11-21(20)33(27)16-28(2,3)36)32(4)26(35)18-8-6-5-7-9-18/h5-15,36H,16H2,1-4H3,(H,30,31,34)
InChIKeyFLFKVWGYOJDSOD-UHFFFAOYSA-N
XLogP5.36
TPSA113.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.62
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide (CID 44573146) is N-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide is Cc1ncc(-c2ccc(C(=O)Nc3nc4cc(N(C)C(=O)c5ccccc5)ccc4n3CC(C)(C)O)s2)o1.
What is the InChIKey of N-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide?
The InChIKey is FLFKVWGYOJDSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4S/c1-17-29-15-22(37-17)23-12-13-24(38-23)25(34)31-27-30-20-14-19(10-11-21(20)33(27)16-28(2,3)36)32(4)26(35)18-8-6-5-7-9-18/h5-15,36H,16H2,1-4H3,(H,30,31,34).
What are the key properties of N-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide?
N-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide has a molecular weight of 529.62 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[benzoyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 44573146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).