N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide

C20H20N4O2 — CID 78769860

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H20N4O2/c25-19-10-15(13-24(19)12-14-6-2-1-3-7-14)20(26)21-11-18-22-16-8-4-5-9-17(16)23-18/h1-9,15H,10-13H2,(H,21,26)(H,22,23)
InChIKeyVXIZHSMVPWOSFY-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.23
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 78769860) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
PubChem CID78769860
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H20N4O2/c25-19-10-15(13-24(19)12-14-6-2-1-3-7-14)20(26)21-11-18-22-16-8-4-5-9-17(16)23-18/h1-9,15H,10-13H2,(H,21,26)(H,22,23)
InChIKeyVXIZHSMVPWOSFY-UHFFFAOYSA-N
XLogP2.23
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide (CID 78769860) is N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide is O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VXIZHSMVPWOSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19-10-15(13-24(19)12-14-6-2-1-3-7-14)20(26)21-11-18-22-16-8-4-5-9-17(16)23-18/h1-9,15H,10-13H2,(H,21,26)(H,22,23).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78769860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).