N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide

C22H19ClN4O2S — CID 16764596

IUPACN-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(N2CCn3c(nc4cccc(Cl)c43)C2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C22H19ClN4O2S/c1-29-18-12-14(7-8-16(18)25-22(28)19-6-3-11-30-19)26-9-10-27-20(13-26)24-17-5-2-4-15(23)21(17)27/h2-8,11-12H,9-10,13H2,1H3,(H,25,28)
InChIKeyXFPNIPWSCAAWOI-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.03
Rot. Bonds4

About N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide

N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 16764596) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID16764596
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC NameN-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(N2CCn3c(nc4cccc(Cl)c43)C2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C22H19ClN4O2S/c1-29-18-12-14(7-8-16(18)25-22(28)19-6-3-11-30-19)26-9-10-27-20(13-26)24-17-5-2-4-15(23)21(17)27/h2-8,11-12H,9-10,13H2,1H3,(H,25,28)
InChIKeyXFPNIPWSCAAWOI-UHFFFAOYSA-N
XLogP5.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-methoxyphenyl]-2-methylpropanamide
CID 50749611
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-[2-chloro-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956560
N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide
CID 46268824
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515403
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
4-methoxy-N-[2-methoxy-5-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]benzamide
CID 29136286

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide (CID 16764596) is N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide is COc1cc(N2CCn3c(nc4cccc(Cl)c43)C2)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is XFPNIPWSCAAWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-29-18-12-14(7-8-16(18)25-22(28)19-6-3-11-30-19)26-9-10-27-20(13-26)24-17-5-2-4-15(23)21(17)27/h2-8,11-12H,9-10,13H2,1H3,(H,25,28).
What are the key properties of N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide?
N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 438.94 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 16764596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).