1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea

C26H25N5O3 — CID 67044692

IUPAC1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3[C@H](C)c3ccccc3)cc2[nH]1
InChIInChI=1S/C26H25N5O3/c1-3-27-25(33)30-24-28-21-14-13-18(15-22(21)29-24)26(34)20-12-8-7-11-19(20)23(32)31(26)16(2)17-9-5-4-6-10-17/h4-16,34H,3H2,1-2H3,(H3,27,28,29,30,33)/t16-,26?/m1/s1
InChIKeyZTGFAYYLHSPPAQ-DIERRCTGSA-N
MW455.52 g/mol
LogP4.11
Rot. Bonds5

About 1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea

1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea (PubChem CID 67044692) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea
PubChem CID67044692
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3[C@H](C)c3ccccc3)cc2[nH]1
InChIInChI=1S/C26H25N5O3/c1-3-27-25(33)30-24-28-21-14-13-18(15-22(21)29-24)26(34)20-12-8-7-11-19(20)23(32)31(26)16(2)17-9-5-4-6-10-17/h4-16,34H,3H2,1-2H3,(H3,27,28,29,30,33)/t16-,26?/m1/s1
InChIKeyZTGFAYYLHSPPAQ-DIERRCTGSA-N
XLogP4.11
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea 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 1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea (CID 67044692) is 1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3[C@H](C)c3ccccc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea?
The InChIKey is ZTGFAYYLHSPPAQ-DIERRCTGSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-3-27-25(33)30-24-28-21-14-13-18(15-22(21)29-24)26(34)20-12-8-7-11-19(20)23(32)31(26)16(2)17-9-5-4-6-10-17/h4-16,34H,3H2,1-2H3,(H3,27,28,29,30,33)/t16-,26?/m1/s1.
What are the key properties of 1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea has a molecular weight of 455.52 g/mol, XLogP of 4.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 67044692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).