N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

C20H28N6O2 — CID 122571045

IUPACN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
SMILESCc1ccc2nc(CNC(=O)N3CCN(CC(=O)N4CCCC4)CC3)[nH]c2c1
InChIInChI=1S/C20H28N6O2/c1-15-4-5-16-17(12-15)23-18(22-16)13-21-20(28)26-10-8-24(9-11-26)14-19(27)25-6-2-3-7-25/h4-5,12H,2-3,6-11,13-14H2,1H3,(H,21,28)(H,22,23)
InChIKeyJKNJCMCLMMDGDG-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.32
Rot. Bonds4

About N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (PubChem CID 122571045) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
PubChem CID122571045
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
SMILESCc1ccc2nc(CNC(=O)N3CCN(CC(=O)N4CCCC4)CC3)[nH]c2c1
InChIInChI=1S/C20H28N6O2/c1-15-4-5-16-17(12-15)23-18(22-16)13-21-20(28)26-10-8-24(9-11-26)14-19(27)25-6-2-3-7-25/h4-5,12H,2-3,6-11,13-14H2,1H3,(H,21,28)(H,22,23)
InChIKeyJKNJCMCLMMDGDG-UHFFFAOYSA-N
XLogP1.32
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (CID 122571045) is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is Cc1ccc2nc(CNC(=O)N3CCN(CC(=O)N4CCCC4)CC3)[nH]c2c1.
What is the InChIKey of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is JKNJCMCLMMDGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15-4-5-16-17(12-15)23-18(22-16)13-21-20(28)26-10-8-24(9-11-26)14-19(27)25-6-2-3-7-25/h4-5,12H,2-3,6-11,13-14H2,1H3,(H,21,28)(H,22,23).
What are the key properties of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 122571045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).