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

C30H34N4O — CID 25115621

IUPACN-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCCn3c(-c4ccccc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C30H34N4O/c1-23(35)31-27-13-9-12-26(22-27)24-16-20-33(21-17-24)18-7-8-19-34-29-15-6-5-14-28(29)32-30(34)25-10-3-2-4-11-25/h2-6,9-15,22,24H,7-8,16-21H2,1H3,(H,31,35)
InChIKeyCGCKCMXXUJPGQC-UHFFFAOYSA-N
MW466.63 g/mol
LogP6.32
Rot. Bonds8

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

N-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25115621) has the molecular formula C30H34N4O and a molecular weight of 466.63 g/mol. Its IUPAC name is N-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide
PubChem CID25115621
Molecular FormulaC30H34N4O
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC NameN-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCCn3c(-c4ccccc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C30H34N4O/c1-23(35)31-27-13-9-12-26(22-27)24-16-20-33(21-17-24)18-7-8-19-34-29-15-6-5-14-28(29)32-30(34)25-10-3-2-4-11-25/h2-6,9-15,22,24H,7-8,16-21H2,1H3,(H,31,35)
InChIKeyCGCKCMXXUJPGQC-UHFFFAOYSA-N
XLogP6.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide (CID 25115621) is N-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCCn3c(-c4ccccc4)nc4ccccc43)CC2)c1.
What is the InChIKey of N-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is CGCKCMXXUJPGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O/c1-23(35)31-27-13-9-12-26(22-27)24-16-20-33(21-17-24)18-7-8-19-34-29-15-6-5-14-28(29)32-30(34)25-10-3-2-4-11-25/h2-6,9-15,22,24H,7-8,16-21H2,1H3,(H,31,35).
What are the key properties of N-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 466.63 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(2-phenylbenzimidazol-1-yl)butyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25115621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).