2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide

C17H17N3O2 — CID 3232144

IUPAC2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(C)n1c(=O)[nH]c2cc(C(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C17H17N3O2/c1-11(2)20-15-9-8-12(10-14(15)19-17(20)22)16(21)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,21)(H,19,22)
InChIKeyZNQTUGJEEYJXKT-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.16
Rot. Bonds3

About 2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide

2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 3232144) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID3232144
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(C)n1c(=O)[nH]c2cc(C(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C17H17N3O2/c1-11(2)20-15-9-8-12(10-14(15)19-17(20)22)16(21)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,21)(H,19,22)
InChIKeyZNQTUGJEEYJXKT-UHFFFAOYSA-N
XLogP3.16
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide (CID 3232144) is 2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide is CC(C)n1c(=O)[nH]c2cc(C(=O)Nc3ccccc3)ccc21.
What is the InChIKey of 2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is ZNQTUGJEEYJXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(2)20-15-9-8-12(10-14(15)19-17(20)22)16(21)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide?
2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 3232144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).