N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide

C27H25N5O4 — CID 67044770

IUPACN-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide
SMILESO=C(Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C27H25N5O4/c33-24-20-8-4-5-9-21(20)27(35,32(24)17-18-6-2-1-3-7-18)19-10-11-22-23(16-19)29-25(28-22)30-26(34)31-12-14-36-15-13-31/h1-11,16,35H,12-15,17H2,(H2,28,29,30,34)
InChIKeyUQKXUJFKDQQEJX-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.28
Rot. Bonds4

About N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide

N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide (PubChem CID 67044770) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide
PubChem CID67044770
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC NameN-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide
SMILESO=C(Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C27H25N5O4/c33-24-20-8-4-5-9-21(20)27(35,32(24)17-18-6-2-1-3-7-18)19-10-11-22-23(16-19)29-25(28-22)30-26(34)31-12-14-36-15-13-31/h1-11,16,35H,12-15,17H2,(H2,28,29,30,34)
InChIKeyUQKXUJFKDQQEJX-UHFFFAOYSA-N
XLogP3.28
TPSA110.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide (CID 67044770) is N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide is O=C(Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1)N1CCOCC1.
What is the InChIKey of N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide?
The InChIKey is UQKXUJFKDQQEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c33-24-20-8-4-5-9-21(20)27(35,32(24)17-18-6-2-1-3-7-18)19-10-11-22-23(16-19)29-25(28-22)30-26(34)31-12-14-36-15-13-31/h1-11,16,35H,12-15,17H2,(H2,28,29,30,34).
What are the key properties of N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide?
N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 67044770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).