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

C30H34N4O2 — CID 25116307

IUPACN-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCOc1cccc(-c2nc3ccccc3n2CCCN2CCC(c3cccc(NC(C)=O)c3)CC2)c1
InChIInChI=1S/C30H34N4O2/c1-22(35)31-26-10-5-8-24(20-26)23-14-18-33(19-15-23)16-7-17-34-29-13-4-3-12-28(29)32-30(34)25-9-6-11-27(21-25)36-2/h3-6,8-13,20-21,23H,7,14-19H2,1-2H3,(H,31,35)
InChIKeyLKRPRUHEJNJXPI-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.94
Rot. Bonds8

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

N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25116307) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID25116307
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC NameN-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCOc1cccc(-c2nc3ccccc3n2CCCN2CCC(c3cccc(NC(C)=O)c3)CC2)c1
InChIInChI=1S/C30H34N4O2/c1-22(35)31-26-10-5-8-24(20-26)23-14-18-33(19-15-23)16-7-17-34-29-13-4-3-12-28(29)32-30(34)25-9-6-11-27(21-25)36-2/h3-6,8-13,20-21,23H,7,14-19H2,1-2H3,(H,31,35)
InChIKeyLKRPRUHEJNJXPI-UHFFFAOYSA-N
XLogP5.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide
CID 25115852
N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25114289
N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 59365356
N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 59365369
N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116781
N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
CID 11591644
N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25115626
N-[3-[1-[3-[2-(2-chlorophenyl)-5-nitrobenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 68602814
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide
CID 59365347
N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene
CID 142106880

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 25116307) is N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is COc1cccc(-c2nc3ccccc3n2CCCN2CCC(c3cccc(NC(C)=O)c3)CC2)c1.
What is the InChIKey of N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is LKRPRUHEJNJXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-22(35)31-26-10-5-8-24(20-26)23-14-18-33(19-15-23)16-7-17-34-29-13-4-3-12-28(29)32-30(34)25-9-6-11-27(21-25)36-2/h3-6,8-13,20-21,23H,7,14-19H2,1-2H3,(H,31,35).
What are the key properties of N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 482.63 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25116307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).