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

C29H32N4O — CID 25115618

IUPACN-[3-[1-[3-(2-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccccc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C29H32N4O/c1-22(34)30-26-12-7-11-25(21-26)23-15-19-32(20-16-23)17-8-18-33-28-14-6-5-13-27(28)31-29(33)24-9-3-2-4-10-24/h2-7,9-14,21,23H,8,15-20H2,1H3,(H,30,34)
InChIKeyMJQUPICMGWTPHB-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.93
Rot. Bonds7

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

N-[3-[1-[3-(2-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25115618) has the molecular formula C29H32N4O and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[3-[1-[3-(2-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-(2-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID25115618
Molecular FormulaC29H32N4O
Molecular Weight452.60 g/mol
Exact Mass452.26
IUPAC NameN-[3-[1-[3-(2-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccccc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C29H32N4O/c1-22(34)30-26-12-7-11-25(21-26)23-15-19-32(20-16-23)17-8-18-33-28-14-6-5-13-27(28)31-29(33)24-9-3-2-4-10-24/h2-7,9-14,21,23H,8,15-20H2,1H3,(H,30,34)
InChIKeyMJQUPICMGWTPHB-UHFFFAOYSA-N
XLogP5.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.93
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-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-(2-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide (CID 25115618) is N-[3-[1-[3-(2-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-(2-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-(2-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccccc4)nc4ccccc43)CC2)c1.
What is the InChIKey of N-[3-[1-[3-(2-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is MJQUPICMGWTPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O/c1-22(34)30-26-12-7-11-25(21-26)23-15-19-32(20-16-23)17-8-18-33-28-14-6-5-13-27(28)31-29(33)24-9-3-2-4-10-24/h2-7,9-14,21,23H,8,15-20H2,1H3,(H,30,34).
What are the key properties of N-[3-[1-[3-(2-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-(2-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 452.60 g/mol, XLogP of 5.93, 7 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-phenylbenzimidazol-1-yl)propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25115618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).