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

C30H34N4O2 — CID 25116306

IUPACN-[3-[1-[3-[2-(2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCOc1ccccc1-c1nc2ccccc2n1CCCN1CCC(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C30H34N4O2/c1-22(35)31-25-10-7-9-24(21-25)23-15-19-33(20-16-23)17-8-18-34-28-13-5-4-12-27(28)32-30(34)26-11-3-6-14-29(26)36-2/h3-7,9-14,21,23H,8,15-20H2,1-2H3,(H,31,35)
InChIKeyGCAVVRPZLQRZQL-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.94
Rot. Bonds8

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

N-[3-[1-[3-[2-(2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25116306) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[2-(2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID25116306
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC NameN-[3-[1-[3-[2-(2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCOc1ccccc1-c1nc2ccccc2n1CCCN1CCC(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C30H34N4O2/c1-22(35)31-25-10-7-9-24(21-25)23-15-19-33(20-16-23)17-8-18-34-28-13-5-4-12-27(28)32-30(34)26-11-3-6-14-29(26)36-2/h3-7,9-14,21,23H,8,15-20H2,1-2H3,(H,31,35)
InChIKeyGCAVVRPZLQRZQL-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-(2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[2-(2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 25116306) is N-[3-[1-[3-[2-(2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[2-(2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[2-(2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is COc1ccccc1-c1nc2ccccc2n1CCCN1CCC(c2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of N-[3-[1-[3-[2-(2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is GCAVVRPZLQRZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-22(35)31-25-10-7-9-24(21-25)23-15-19-33(20-16-23)17-8-18-34-28-13-5-4-12-27(28)32-30(34)26-11-3-6-14-29(26)36-2/h3-7,9-14,21,23H,8,15-20H2,1-2H3,(H,31,35).
What are the key properties of N-[3-[1-[3-[2-(2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[2-(2-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-(2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25116306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).