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

C34H33ClN4O — CID 25114723

IUPACN-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(C2CCN(CCCn3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1)c1ccccc1
InChIInChI=1S/C34H33ClN4O/c35-29-16-14-26(15-17-29)33-37-31-12-4-5-13-32(31)39(33)21-7-20-38-22-18-25(19-23-38)28-10-6-11-30(24-28)36-34(40)27-8-2-1-3-9-27/h1-6,8-17,24-25H,7,18-23H2,(H,36,40)
InChIKeyCADHMVFLBYSITK-UHFFFAOYSA-N
MW549.12 g/mol
LogP7.88
Rot. Bonds8

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

N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide (PubChem CID 25114723) has the molecular formula C34H33ClN4O and a molecular weight of 549.12 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide
PubChem CID25114723
Molecular FormulaC34H33ClN4O
Molecular Weight549.12 g/mol
Exact Mass548.23
IUPAC NameN-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(C2CCN(CCCn3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1)c1ccccc1
InChIInChI=1S/C34H33ClN4O/c35-29-16-14-26(15-17-29)33-37-31-12-4-5-13-32(31)39(33)21-7-20-38-22-18-25(19-23-38)28-10-6-11-30(24-28)36-34(40)27-8-2-1-3-9-27/h1-6,8-17,24-25H,7,18-23H2,(H,36,40)
InChIKeyCADHMVFLBYSITK-UHFFFAOYSA-N
XLogP7.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.12
LogP ≤ 57.88
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]benzamide?
The IUPAC name of N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide (CID 25114723) is N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide is O=C(Nc1cccc(C2CCN(CCCn3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1)c1ccccc1.
What is the InChIKey of N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide?
The InChIKey is CADHMVFLBYSITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClN4O/c35-29-16-14-26(15-17-29)33-37-31-12-4-5-13-32(31)39(33)21-7-20-38-22-18-25(19-23-38)28-10-6-11-30(24-28)36-34(40)27-8-2-1-3-9-27/h1-6,8-17,24-25H,7,18-23H2,(H,36,40).
What are the key properties of N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide?
N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide has a molecular weight of 549.12 g/mol, XLogP of 7.88, 8 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]benzamide is sourced from PubChem (CID 25114723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).