3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

C25H26N4O3 — CID 52548824

IUPAC3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc(-c2cnc(CCC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)o2)cc1
InChIInChI=1S/C25H26N4O3/c1-17-6-8-18(9-7-17)22-16-26-23(32-22)10-11-24(30)28-14-12-19(13-15-28)29-21-5-3-2-4-20(21)27-25(29)31/h2-9,16,19H,10-15H2,1H3,(H,27,31)
InChIKeyKTHVAQVQNHHTDJ-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.09
Rot. Bonds5

About 3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 52548824) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID52548824
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc(-c2cnc(CCC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)o2)cc1
InChIInChI=1S/C25H26N4O3/c1-17-6-8-18(9-7-17)22-16-26-23(32-22)10-11-24(30)28-14-12-19(13-15-28)29-21-5-3-2-4-20(21)27-25(29)31/h2-9,16,19H,10-15H2,1H3,(H,27,31)
InChIKeyKTHVAQVQNHHTDJ-UHFFFAOYSA-N
XLogP4.09
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 52548824) is 3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccc(-c2cnc(CCC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)o2)cc1.
What is the InChIKey of 3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is KTHVAQVQNHHTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17-6-8-18(9-7-17)22-16-26-23(32-22)10-11-24(30)28-14-12-19(13-15-28)29-21-5-3-2-4-20(21)27-25(29)31/h2-9,16,19H,10-15H2,1H3,(H,27,31).
What are the key properties of 3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 430.51 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 52548824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).