N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide

C27H28N4O2 — CID 50750458

IUPACN-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CCc2ccccc2)cc1CN1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C27H28N4O2/c1-33-25-13-12-22(28-27(32)14-11-20-7-3-2-4-8-20)17-21(25)18-30-15-16-31-24-10-6-5-9-23(24)29-26(31)19-30/h2-10,12-13,17H,11,14-16,18-19H2,1H3,(H,28,32)
InChIKeyHLGIEXSIAWQMNX-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.63
Rot. Bonds7

About N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide

N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide (PubChem CID 50750458) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide
PubChem CID50750458
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CCc2ccccc2)cc1CN1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C27H28N4O2/c1-33-25-13-12-22(28-27(32)14-11-20-7-3-2-4-8-20)17-21(25)18-30-15-16-31-24-10-6-5-9-23(24)29-26(31)19-30/h2-10,12-13,17H,11,14-16,18-19H2,1H3,(H,28,32)
InChIKeyHLGIEXSIAWQMNX-UHFFFAOYSA-N
XLogP4.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 46268807
N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methoxybenzamide
CID 2954264
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide
CID 50749431
N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
CID 29126924
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
3-phenyl-N-[(1R)-1-[7-[(2,4,5-trimethoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide
CID 42451494
N-[2-[(2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
CID 42558013
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide
CID 46268824
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone
CID 110872437
methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate
CID 71043442

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide (CID 50750458) is N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide is COc1ccc(NC(=O)CCc2ccccc2)cc1CN1CCn2c(nc3ccccc32)C1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide?
The InChIKey is HLGIEXSIAWQMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-33-25-13-12-22(28-27(32)14-11-20-7-3-2-4-8-20)17-21(25)18-30-15-16-31-24-10-6-5-9-23(24)29-26(31)19-30/h2-10,12-13,17H,11,14-16,18-19H2,1H3,(H,28,32).
What are the key properties of N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide?
N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide has a molecular weight of 440.55 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide is sourced from PubChem (CID 50750458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).