4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide

C28H26Cl2N4O3 — CID 53470357

IUPAC4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(n2c(=O)n(C(=O)c3ccc(Cl)cc3)c3ccccc32)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C28H26Cl2N4O3/c29-21-9-5-19(6-10-21)26(35)31-15-18-32-16-13-23(14-17-32)33-24-3-1-2-4-25(24)34(28(33)37)27(36)20-7-11-22(30)12-8-20/h1-12,23H,13-18H2,(H,31,35)
InChIKeyDZUAUAPHDMRFND-UHFFFAOYSA-N
MW537.45 g/mol
LogP4.87
Rot. Bonds6

About 4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide

4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide (PubChem CID 53470357) has the molecular formula C28H26Cl2N4O3 and a molecular weight of 537.45 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide
PubChem CID53470357
Molecular FormulaC28H26Cl2N4O3
Molecular Weight537.45 g/mol
Exact Mass536.14
IUPAC Name4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(n2c(=O)n(C(=O)c3ccc(Cl)cc3)c3ccccc32)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C28H26Cl2N4O3/c29-21-9-5-19(6-10-21)26(35)31-15-18-32-16-13-23(14-17-32)33-24-3-1-2-4-25(24)34(28(33)37)27(36)20-7-11-22(30)12-8-20/h1-12,23H,13-18H2,(H,31,35)
InChIKeyDZUAUAPHDMRFND-UHFFFAOYSA-N
XLogP4.87
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide (CID 53470357) is 4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(n2c(=O)n(C(=O)c3ccc(Cl)cc3)c3ccccc32)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide?
The InChIKey is DZUAUAPHDMRFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O3/c29-21-9-5-19(6-10-21)26(35)31-15-18-32-16-13-23(14-17-32)33-24-3-1-2-4-25(24)34(28(33)37)27(36)20-7-11-22(30)12-8-20/h1-12,23H,13-18H2,(H,31,35).
What are the key properties of 4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide?
4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide has a molecular weight of 537.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 53470357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).