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

C30H34N4O2 — CID 25116308

IUPACN-[3-[1-[3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2CCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1
InChIInChI=1S/C30H34N4O2/c1-22(35)31-26-8-5-7-25(21-26)23-15-19-33(20-16-23)17-6-18-34-29-10-4-3-9-28(29)32-30(34)24-11-13-27(36-2)14-12-24/h3-5,7-14,21,23H,6,15-20H2,1-2H3,(H,31,35)
InChIKeyKDHPMUJPKARXEV-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.94
Rot. Bonds8

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

N-[3-[1-[3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25116308) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID25116308
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC NameN-[3-[1-[3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2CCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1
InChIInChI=1S/C30H34N4O2/c1-22(35)31-26-8-5-7-25(21-26)23-15-19-33(20-16-23)17-6-18-34-29-10-4-3-9-28(29)32-30(34)24-11-13-27(36-2)14-12-24/h3-5,7-14,21,23H,6,15-20H2,1-2H3,(H,31,35)
InChIKeyKDHPMUJPKARXEV-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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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 25116308) is N-[3-[1-[3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is COc1ccc(-c2nc3ccccc3n2CCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1.
What is the InChIKey of N-[3-[1-[3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is KDHPMUJPKARXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-22(35)31-26-8-5-7-25(21-26)23-15-19-33(20-16-23)17-6-18-34-29-10-4-3-9-28(29)32-30(34)24-11-13-27(36-2)14-12-24/h3-5,7-14,21,23H,6,15-20H2,1-2H3,(H,31,35).
What are the key properties of N-[3-[1-[3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[2-(4-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-(4-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25116308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).