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

C23H27N3O2 — CID 15603116

IUPAC(8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C(C)C)O2
InChIInChI=1S/C23H27N3O2/c1-13(2)15-8-6-7-9-16(15)20-11-10-17-18(23(27)24-4)12-19-21(22(17)28-20)25-14(3)26(19)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,24,27)/t20-/m0/s1
InChIKeyHFRXYIIKKYFSKM-FQEVSTJZSA-N
MW377.49 g/mol
LogP4.43
Rot. Bonds3

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

(8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (PubChem CID 15603116) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
PubChem CID15603116
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C(C)C)O2
InChIInChI=1S/C23H27N3O2/c1-13(2)15-8-6-7-9-16(15)20-11-10-17-18(23(27)24-4)12-19-21(22(17)28-20)25-14(3)26(19)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,24,27)/t20-/m0/s1
InChIKeyHFRXYIIKKYFSKM-FQEVSTJZSA-N
XLogP4.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The IUPAC name of (8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (CID 15603116) is (8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.
What is the SMILES notation for (8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The canonical SMILES for (8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is CNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C(C)C)O2.
What is the InChIKey of (8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The InChIKey is HFRXYIIKKYFSKM-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-13(2)15-8-6-7-9-16(15)20-11-10-17-18(23(27)24-4)12-19-21(22(17)28-20)25-14(3)26(19)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,24,27)/t20-/m0/s1.
What are the key properties of (8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
(8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 15603116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).