(8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

C22H25N3O2 — CID 46222465

IUPAC(8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCCNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2
InChIInChI=1S/C22H25N3O2/c1-5-23-22(26)17-12-18-20(24-14(3)25(18)4)21-16(17)10-11-19(27-21)15-9-7-6-8-13(15)2/h6-9,12,19H,5,10-11H2,1-4H3,(H,23,26)/t19-/m0/s1
InChIKeyWLMHEEAQWORBBU-IBGZPJMESA-N
MW363.46 g/mol
LogP4.01
Rot. Bonds3

About (8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

(8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (PubChem CID 46222465) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
PubChem CID46222465
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCCNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2
InChIInChI=1S/C22H25N3O2/c1-5-23-22(26)17-12-18-20(24-14(3)25(18)4)21-16(17)10-11-19(27-21)15-9-7-6-8-13(15)2/h6-9,12,19H,5,10-11H2,1-4H3,(H,23,26)/t19-/m0/s1
InChIKeyWLMHEEAQWORBBU-IBGZPJMESA-N
XLogP4.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The IUPAC name of (8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (CID 46222465) is (8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.
What is the SMILES notation for (8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The canonical SMILES for (8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is CCNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2.
What is the InChIKey of (8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The InChIKey is WLMHEEAQWORBBU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-23-22(26)17-12-18-20(24-14(3)25(18)4)21-16(17)10-11-19(27-21)15-9-7-6-8-13(15)2/h6-9,12,19H,5,10-11H2,1-4H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
(8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 46222465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).