N-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide

C28H30N4O2 — CID 163322395

IUPACN-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)ccc32)cc1
InChIInChI=1S/C28H30N4O2/c1-21(33)30-24-8-10-25(11-9-24)32-20-29-27-19-23(7-14-28(27)32)22-5-12-26(13-6-22)34-18-17-31-15-3-2-4-16-31/h5-14,19-20H,2-4,15-18H2,1H3,(H,30,33)
InChIKeyGAXVYKWKQSGVIF-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.52
Rot. Bonds7

About N-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide

N-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide (PubChem CID 163322395) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide
PubChem CID163322395
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC NameN-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)ccc32)cc1
InChIInChI=1S/C28H30N4O2/c1-21(33)30-24-8-10-25(11-9-24)32-20-29-27-19-23(7-14-28(27)32)22-5-12-26(13-6-22)34-18-17-31-15-3-2-4-16-31/h5-14,19-20H,2-4,15-18H2,1H3,(H,30,33)
InChIKeyGAXVYKWKQSGVIF-UHFFFAOYSA-N
XLogP5.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide (CID 163322395) is N-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)ccc32)cc1.
What is the InChIKey of N-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide?
The InChIKey is GAXVYKWKQSGVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-21(33)30-24-8-10-25(11-9-24)32-20-29-27-19-23(7-14-28(27)32)22-5-12-26(13-6-22)34-18-17-31-15-3-2-4-16-31/h5-14,19-20H,2-4,15-18H2,1H3,(H,30,33).
What are the key properties of N-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide?
N-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide has a molecular weight of 454.57 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[4-(2-piperidin-1-ylethoxy)phenyl]benzimidazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 163322395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).