N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide

C31H36N4O — CID 25115852

IUPACN-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCCCn3c(-c4ccccc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C31H36N4O/c1-24(36)32-28-14-10-13-27(23-28)25-17-21-34(22-18-25)19-8-3-9-20-35-30-16-7-6-15-29(30)33-31(35)26-11-4-2-5-12-26/h2,4-7,10-16,23,25H,3,8-9,17-22H2,1H3,(H,32,36)
InChIKeyRMJIGUQCGIMVAT-UHFFFAOYSA-N
MW480.66 g/mol
LogP6.71
Rot. Bonds9

About N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25115852) has the molecular formula C31H36N4O and a molecular weight of 480.66 g/mol. Its IUPAC name is N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide
PubChem CID25115852
Molecular FormulaC31H36N4O
Molecular Weight480.66 g/mol
Exact Mass480.29
IUPAC NameN-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCCCn3c(-c4ccccc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C31H36N4O/c1-24(36)32-28-14-10-13-27(23-28)25-17-21-34(22-18-25)19-8-3-9-20-35-30-16-7-6-15-29(30)33-31(35)26-11-4-2-5-12-26/h2,4-7,10-16,23,25H,3,8-9,17-22H2,1H3,(H,32,36)
InChIKeyRMJIGUQCGIMVAT-UHFFFAOYSA-N
XLogP6.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 56.71
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-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide (CID 25115852) is N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCCCn3c(-c4ccccc4)nc4ccccc43)CC2)c1.
What is the InChIKey of N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is RMJIGUQCGIMVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O/c1-24(36)32-28-14-10-13-27(23-28)25-17-21-34(22-18-25)19-8-3-9-20-35-30-16-7-6-15-29(30)33-31(35)26-11-4-2-5-12-26/h2,4-7,10-16,23,25H,3,8-9,17-22H2,1H3,(H,32,36).
What are the key properties of N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 480.66 g/mol, XLogP of 6.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25115852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).