N-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

C35H36N4O — CID 25113838

IUPACN-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(-c5ccccc5)cc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C35H36N4O/c1-26(40)36-32-12-7-11-31(25-32)29-19-23-38(24-20-29)21-8-22-39-34-14-6-5-13-33(34)37-35(39)30-17-15-28(16-18-30)27-9-3-2-4-10-27/h2-7,9-18,25,29H,8,19-24H2,1H3,(H,36,40)
InChIKeyFFYYMPKYCYWKII-UHFFFAOYSA-N
MW528.70 g/mol
LogP7.60
Rot. Bonds8

About N-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25113838) has the molecular formula C35H36N4O and a molecular weight of 528.70 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID25113838
Molecular FormulaC35H36N4O
Molecular Weight528.70 g/mol
Exact Mass528.29
IUPAC NameN-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(-c5ccccc5)cc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C35H36N4O/c1-26(40)36-32-12-7-11-31(25-32)29-19-23-38(24-20-29)21-8-22-39-34-14-6-5-13-33(34)37-35(39)30-17-15-28(16-18-30)27-9-3-2-4-10-27/h2-7,9-18,25,29H,8,19-24H2,1H3,(H,36,40)
InChIKeyFFYYMPKYCYWKII-UHFFFAOYSA-N
XLogP7.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 25113838) is N-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(-c5ccccc5)cc4)nc4ccccc43)CC2)c1.
What is the InChIKey of N-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is FFYYMPKYCYWKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N4O/c1-26(40)36-32-12-7-11-31(25-32)29-19-23-38(24-20-29)21-8-22-39-34-14-6-5-13-33(34)37-35(39)30-17-15-28(16-18-30)27-9-3-2-4-10-27/h2-7,9-18,25,29H,8,19-24H2,1H3,(H,36,40).
What are the key properties of N-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 528.70 g/mol, XLogP of 7.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[2-(4-phenylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25113838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).