N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide

C26H26N4O — CID 50749431

IUPACN-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide
SMILESCc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C26H26N4O/c1-19-11-13-21(17-23(19)28-26(31)14-12-20-7-3-2-4-8-20)29-15-16-30-24-10-6-5-9-22(24)27-25(30)18-29/h2-11,13,17H,12,14-16,18H2,1H3,(H,28,31)
InChIKeyPLZHJTISSOFABJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.94
Rot. Bonds5

About N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide

N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide (PubChem CID 50749431) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide
PubChem CID50749431
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide
SMILESCc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C26H26N4O/c1-19-11-13-21(17-23(19)28-26(31)14-12-20-7-3-2-4-8-20)29-15-16-30-24-10-6-5-9-22(24)27-25(30)18-29/h2-11,13,17H,12,14-16,18H2,1H3,(H,28,31)
InChIKeyPLZHJTISSOFABJ-UHFFFAOYSA-N
XLogP4.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]butanamide
CID 50749429
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 46268807
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide
CID 46269005
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]butanamide
CID 46268849
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide
CID 50749480
4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide
CID 50749276
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-fluorobenzamide
CID 46268862
1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea
CID 46268832
N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide
CID 50750458
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide
CID 46268794
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
CID 46268899
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 52894225

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide?
The IUPAC name of N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide (CID 50749431) is N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide?
The canonical SMILES for N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide is Cc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide?
The InChIKey is PLZHJTISSOFABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-19-11-13-21(17-23(19)28-26(31)14-12-20-7-3-2-4-8-20)29-15-16-30-24-10-6-5-9-22(24)27-25(30)18-29/h2-11,13,17H,12,14-16,18H2,1H3,(H,28,31).
What are the key properties of N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide?
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide has a molecular weight of 410.52 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide is sourced from PubChem (CID 50749431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).