N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide

C15H19N5O2 — CID 56861217

IUPACN-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide
SMILESCc1ccc2nc(CN(C)C(=O)C3CNCC(=O)N3)[nH]c2c1
InChIInChI=1S/C15H19N5O2/c1-9-3-4-10-11(5-9)18-13(17-10)8-20(2)15(22)12-6-16-7-14(21)19-12/h3-5,12,16H,6-8H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyBBTCBNDFPFYMLP-UHFFFAOYSA-N
MW301.35 g/mol
LogP-0.08
Rot. Bonds3

About N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide

N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide (PubChem CID 56861217) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide
PubChem CID56861217
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide
SMILESCc1ccc2nc(CN(C)C(=O)C3CNCC(=O)N3)[nH]c2c1
InChIInChI=1S/C15H19N5O2/c1-9-3-4-10-11(5-9)18-13(17-10)8-20(2)15(22)12-6-16-7-14(21)19-12/h3-5,12,16H,6-8H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyBBTCBNDFPFYMLP-UHFFFAOYSA-N
XLogP-0.08
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56722109
(3R,6S)-6-amino-N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(oxan-4-yl)azepane-3-carboxamide
CID 165423212
N,1,4,6-tetramethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 50974880
N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 110462326
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide
CID 75258578
N-ethyl-3-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]propanamide
CID 91831683
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 125174045
N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium
CID 158055822
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 134708759

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide?
The IUPAC name of N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide (CID 56861217) is N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide is Cc1ccc2nc(CN(C)C(=O)C3CNCC(=O)N3)[nH]c2c1.
What is the InChIKey of N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide?
The InChIKey is BBTCBNDFPFYMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-3-4-10-11(5-9)18-13(17-10)8-20(2)15(22)12-6-16-7-14(21)19-12/h3-5,12,16H,6-8H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide?
N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide is sourced from PubChem (CID 56861217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).