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

C29H33N5O — CID 59365369

IUPACN-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(Cc4ccccn4)nc4ccccc43)CC2)c1
InChIInChI=1S/C29H33N5O/c1-22(35)31-26-10-6-8-24(20-26)23-13-18-33(19-14-23)16-7-17-34-28-12-3-2-11-27(28)32-29(34)21-25-9-4-5-15-30-25/h2-6,8-12,15,20,23H,7,13-14,16-19,21H2,1H3,(H,31,35)
InChIKeyVQFRAECHYYGCQR-UHFFFAOYSA-N
MW467.62 g/mol
LogP5.25
Rot. Bonds8

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

N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 59365369) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID59365369
Molecular FormulaC29H33N5O
Molecular Weight467.62 g/mol
Exact Mass467.27
IUPAC NameN-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(Cc4ccccn4)nc4ccccc43)CC2)c1
InChIInChI=1S/C29H33N5O/c1-22(35)31-26-10-6-8-24(20-26)23-13-18-33(19-14-23)16-7-17-34-28-12-3-2-11-27(28)32-29(34)21-25-9-4-5-15-30-25/h2-6,8-12,15,20,23H,7,13-14,16-19,21H2,1H3,(H,31,35)
InChIKeyVQFRAECHYYGCQR-UHFFFAOYSA-N
XLogP5.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.62
LogP ≤ 55.25
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-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 59365356
N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116307
N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25114289
N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
CID 11591644
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-[2-(2-chlorophenyl)-5-nitrobenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 68602814
N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116781
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-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide
CID 142713105
N-[3-[1-[3-[4-(4-chloropiperidin-1-yl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 71727449
N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
CID 16756402

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 59365369) is N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3c(Cc4ccccn4)nc4ccccc43)CC2)c1.
What is the InChIKey of N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is VQFRAECHYYGCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O/c1-22(35)31-26-10-6-8-24(20-26)23-13-18-33(19-14-23)16-7-17-34-28-12-3-2-11-27(28)32-29(34)21-25-9-4-5-15-30-25/h2-6,8-12,15,20,23H,7,13-14,16-19,21H2,1H3,(H,31,35).
What are the key properties of N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 467.62 g/mol, XLogP of 5.25, 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-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 59365369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).