4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide

C20H21FN4O2 — CID 3159100

IUPAC4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide
SMILESCOCCN1CCn2c(nc3cc(NC(=O)c4ccc(F)cc4)ccc32)C1
InChIInChI=1S/C20H21FN4O2/c1-27-11-10-24-8-9-25-18-7-6-16(12-17(18)23-19(25)13-24)22-20(26)14-2-4-15(21)5-3-14/h2-7,12H,8-11,13H2,1H3,(H,22,26)
InChIKeyLAMLVVSAVFFCRR-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.89
Rot. Bonds5

About 4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide

4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide (PubChem CID 3159100) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide
PubChem CID3159100
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide
SMILESCOCCN1CCn2c(nc3cc(NC(=O)c4ccc(F)cc4)ccc32)C1
InChIInChI=1S/C20H21FN4O2/c1-27-11-10-24-8-9-25-18-7-6-16(12-17(18)23-19(25)13-24)22-20(26)14-2-4-15(21)5-3-14/h2-7,12H,8-11,13H2,1H3,(H,22,26)
InChIKeyLAMLVVSAVFFCRR-UHFFFAOYSA-N
XLogP2.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide (CID 3159100) is 4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide is COCCN1CCn2c(nc3cc(NC(=O)c4ccc(F)cc4)ccc32)C1.
What is the InChIKey of 4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide?
The InChIKey is LAMLVVSAVFFCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-27-11-10-24-8-9-25-18-7-6-16(12-17(18)23-19(25)13-24)22-20(26)14-2-4-15(21)5-3-14/h2-7,12H,8-11,13H2,1H3,(H,22,26).
What are the key properties of 4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide?
4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide has a molecular weight of 368.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide is sourced from PubChem (CID 3159100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).