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

C29H31ClN4O — CID 25058425

IUPACN-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C29H31ClN4O/c1-21(35)31-26-7-4-6-24(20-26)22-14-18-33(19-15-22)16-5-17-34-28-9-3-2-8-27(28)32-29(34)23-10-12-25(30)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,35)
InChIKeyDJTVQVIZMNHBCR-UHFFFAOYSA-N
MW487.05 g/mol
LogP6.58
Rot. Bonds7

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

N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25058425) has the molecular formula C29H31ClN4O and a molecular weight of 487.05 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID25058425
Molecular FormulaC29H31ClN4O
Molecular Weight487.05 g/mol
Exact Mass486.22
IUPAC NameN-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C29H31ClN4O/c1-21(35)31-26-7-4-6-24(20-26)22-14-18-33(19-15-22)16-5-17-34-28-9-3-2-8-27(28)32-29(34)23-10-12-25(30)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,35)
InChIKeyDJTVQVIZMNHBCR-UHFFFAOYSA-N
XLogP6.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.05
LogP ≤ 56.58
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-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 25058425) is N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1.
What is the InChIKey of N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is DJTVQVIZMNHBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O/c1-21(35)31-26-7-4-6-24(20-26)22-14-18-33(19-15-22)16-5-17-34-28-9-3-2-8-27(28)32-29(34)23-10-12-25(30)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,35).
What are the key properties of N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 487.05 g/mol, XLogP of 6.58, 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-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25058425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).