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

C29H30F2N4O — CID 25114067

IUPACN-[3-[1-[3-[2-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(F)c(F)c4)nc4ccccc43)CC2)c1
InChIInChI=1S/C29H30F2N4O/c1-20(36)32-24-7-4-6-22(18-24)21-12-16-34(17-13-21)14-5-15-35-28-9-3-2-8-27(28)33-29(35)23-10-11-25(30)26(31)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,36)
InChIKeyCHVMKRMHQYFFMP-UHFFFAOYSA-N
MW488.58 g/mol
LogP6.21
Rot. Bonds7

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

N-[3-[1-[3-[2-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25114067) has the molecular formula C29H30F2N4O and a molecular weight of 488.58 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[2-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID25114067
Molecular FormulaC29H30F2N4O
Molecular Weight488.58 g/mol
Exact Mass488.24
IUPAC NameN-[3-[1-[3-[2-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(F)c(F)c4)nc4ccccc43)CC2)c1
InChIInChI=1S/C29H30F2N4O/c1-20(36)32-24-7-4-6-22(18-24)21-12-16-34(17-13-21)14-5-15-35-28-9-3-2-8-27(28)33-29(35)23-10-11-25(30)26(31)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,36)
InChIKeyCHVMKRMHQYFFMP-UHFFFAOYSA-N
XLogP6.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 56.21
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-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[2-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 25114067) is N-[3-[1-[3-[2-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[2-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[2-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(F)c(F)c4)nc4ccccc43)CC2)c1.
What is the InChIKey of N-[3-[1-[3-[2-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is CHVMKRMHQYFFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N4O/c1-20(36)32-24-7-4-6-22(18-24)21-12-16-34(17-13-21)14-5-15-35-28-9-3-2-8-27(28)33-29(35)23-10-11-25(30)26(31)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,36).
What are the key properties of N-[3-[1-[3-[2-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[2-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 488.58 g/mol, XLogP of 6.21, 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-(3,4-difluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25114067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).