(8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

C20H20ClN3O2 — CID 46220721

IUPAC(8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccc(Cl)cc1)O2
InChIInChI=1S/C20H20ClN3O2/c1-11-23-18-16(24(11)3)10-15(20(25)22-2)14-8-9-17(26-19(14)18)12-4-6-13(21)7-5-12/h4-7,10,17H,8-9H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyLVMSDMGXOVXJCC-KRWDZBQOSA-N
MW369.85 g/mol
LogP3.96
Rot. Bonds2

About (8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

(8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (PubChem CID 46220721) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
PubChem CID46220721
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccc(Cl)cc1)O2
InChIInChI=1S/C20H20ClN3O2/c1-11-23-18-16(24(11)3)10-15(20(25)22-2)14-8-9-17(26-19(14)18)12-4-6-13(21)7-5-12/h4-7,10,17H,8-9H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyLVMSDMGXOVXJCC-KRWDZBQOSA-N
XLogP3.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The IUPAC name of (8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (CID 46220721) is (8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.
What is the SMILES notation for (8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The canonical SMILES for (8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is CNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccc(Cl)cc1)O2.
What is the InChIKey of (8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The InChIKey is LVMSDMGXOVXJCC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-11-23-18-16(24(11)3)10-15(20(25)22-2)14-8-9-17(26-19(14)18)12-4-6-13(21)7-5-12/h4-7,10,17H,8-9H2,1-3H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
(8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 46220721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).