N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide

C21H23ClN4O2 — CID 50749611

IUPACN-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide
SMILESCOc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)C(C)C
InChIInChI=1S/C21H23ClN4O2/c1-13(2)21(27)24-16-6-5-15(11-19(16)28-3)25-8-9-26-18-7-4-14(22)10-17(18)23-20(26)12-25/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,24,27)
InChIKeyZCFSJKLDXLBFDX-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.31
Rot. Bonds4

About N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide

N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide (PubChem CID 50749611) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide
PubChem CID50749611
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC NameN-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide
SMILESCOc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)C(C)C
InChIInChI=1S/C21H23ClN4O2/c1-13(2)21(27)24-16-6-5-15(11-19(16)28-3)25-8-9-26-18-7-4-14(22)10-17(18)23-20(26)12-25/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,24,27)
InChIKeyZCFSJKLDXLBFDX-UHFFFAOYSA-N
XLogP4.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyaniline
CID 50749851
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide
CID 50749798
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
CID 46268899
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide
CID 46269005
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide
CID 50750414
N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
CID 16764596
4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide
CID 50749276
2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide
CID 45491338
N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide
CID 46268824
[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]thiourea
CID 169356268
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-fluorobenzamide
CID 46268862
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide
CID 50749480

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide (CID 50749611) is N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide is COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)C(C)C.
What is the InChIKey of N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide?
The InChIKey is ZCFSJKLDXLBFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-13(2)21(27)24-16-6-5-15(11-19(16)28-3)25-8-9-26-18-7-4-14(22)10-17(18)23-20(26)12-25/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,24,27).
What are the key properties of N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide?
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide has a molecular weight of 398.89 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide is sourced from PubChem (CID 50749611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).