1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea

C25H23N7O2 — CID 11213172

IUPAC1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(Cc4ccccc4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C25H23N7O2/c1-2-26-25(34)30-24-28-20-13-19(14-21(23(20)29-24)32-11-6-10-27-32)18-9-12-31(22(33)15-18)16-17-7-4-3-5-8-17/h3-15H,2,16H2,1H3,(H3,26,28,29,30,34)
InChIKeyVPFAVHQFKCUDKA-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.77
Rot. Bonds6

About 1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea

1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea (PubChem CID 11213172) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea
PubChem CID11213172
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(Cc4ccccc4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C25H23N7O2/c1-2-26-25(34)30-24-28-20-13-19(14-21(23(20)29-24)32-11-6-10-27-32)18-9-12-31(22(33)15-18)16-17-7-4-3-5-8-17/h3-15H,2,16H2,1H3,(H3,26,28,29,30,34)
InChIKeyVPFAVHQFKCUDKA-UHFFFAOYSA-N
XLogP3.77
TPSA109.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea 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-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea?
The IUPAC name of 1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea (CID 11213172) is 1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea?
The canonical SMILES for 1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea is CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(Cc4ccccc4)c(=O)c3)cc2[nH]1.
What is the InChIKey of 1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea?
The InChIKey is VPFAVHQFKCUDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-2-26-25(34)30-24-28-20-13-19(14-21(23(20)29-24)32-11-6-10-27-32)18-9-12-31(22(33)15-18)16-17-7-4-3-5-8-17/h3-15H,2,16H2,1H3,(H3,26,28,29,30,34).
What are the key properties of 1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea?
1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea has a molecular weight of 453.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea is sourced from PubChem (CID 11213172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).