N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C27H36N4O2 — CID 4886073

IUPACN-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCCCC2)n3C)c1
InChIInChI=1S/C27H36N4O2/c1-19(2)22-10-8-20(3)16-25(22)33-18-27(32)28-21-9-11-24-23(17-21)29-26(30(24)4)12-15-31-13-6-5-7-14-31/h8-11,16-17,19H,5-7,12-15,18H2,1-4H3,(H,28,32)
InChIKeyOWHDVIBZBONORH-UHFFFAOYSA-N
MW448.61 g/mol
LogP5.05
Rot. Bonds8

About N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 4886073) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID4886073
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC NameN-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCCCC2)n3C)c1
InChIInChI=1S/C27H36N4O2/c1-19(2)22-10-8-20(3)16-25(22)33-18-27(32)28-21-9-11-24-23(17-21)29-26(30(24)4)12-15-31-13-6-5-7-14-31/h8-11,16-17,19H,5-7,12-15,18H2,1-4H3,(H,28,32)
InChIKeyOWHDVIBZBONORH-UHFFFAOYSA-N
XLogP5.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 4886073) is N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCCCC2)n3C)c1.
What is the InChIKey of N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is OWHDVIBZBONORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-19(2)22-10-8-20(3)16-25(22)33-18-27(32)28-21-9-11-24-23(17-21)29-26(30(24)4)12-15-31-13-6-5-7-14-31/h8-11,16-17,19H,5-7,12-15,18H2,1-4H3,(H,28,32).
What are the key properties of N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 448.61 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 4886073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).