N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide

C19H28N4O — CID 46269105

IUPACN-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide
SMILESCCCCN1CCn2c(nc3cc(NC(=O)CC(C)C)ccc32)C1
InChIInChI=1S/C19H28N4O/c1-4-5-8-22-9-10-23-17-7-6-15(20-19(24)11-14(2)3)12-16(17)21-18(23)13-22/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,24)
InChIKeyUIBALBOHUHVKIC-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.64
Rot. Bonds6

About N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide

N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide (PubChem CID 46269105) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide
PubChem CID46269105
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide
SMILESCCCCN1CCn2c(nc3cc(NC(=O)CC(C)C)ccc32)C1
InChIInChI=1S/C19H28N4O/c1-4-5-8-22-9-10-23-17-7-6-15(20-19(24)11-14(2)3)12-16(17)21-18(23)13-22/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,24)
InChIKeyUIBALBOHUHVKIC-UHFFFAOYSA-N
XLogP3.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide 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-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
CID 29126924
ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate
CID 24761610
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide
CID 17235994
1-cyclohexyl-3-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea
CID 50750465
3-methyl-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 50745125
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide
CID 4900397
2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide
CID 50750469
N-(2-cyclopropyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide
CID 29112310
N-[1-butyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 53207694
N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methoxybenzamide
CID 2954264
N,2-diethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
CID 25251653

Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide?
The IUPAC name of N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide (CID 46269105) is N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide.
What is the SMILES notation for N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide?
The canonical SMILES for N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide is CCCCN1CCn2c(nc3cc(NC(=O)CC(C)C)ccc32)C1.
What is the InChIKey of N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide?
The InChIKey is UIBALBOHUHVKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-5-8-22-9-10-23-17-7-6-15(20-19(24)11-14(2)3)12-16(17)21-18(23)13-22/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,24).
What are the key properties of N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide?
N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide has a molecular weight of 328.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide is sourced from PubChem (CID 46269105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).