[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone

C24H27N3O2 — CID 15602802

IUPAC[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1[C@@H]1CCc2c(C(=O)N3CCCC3)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C24H27N3O2/c1-15-8-4-5-9-17(15)21-11-10-18-19(24(28)27-12-6-7-13-27)14-20-22(23(18)29-21)25-16(2)26(20)3/h4-5,8-9,14,21H,6-7,10-13H2,1-3H3/t21-/m0/s1
InChIKeyMOCUWIVXQICVQL-NRFANRHFSA-N
MW389.50 g/mol
LogP4.49
Rot. Bonds2

About [(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone

[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 15602802) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is [(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID15602802
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1[C@@H]1CCc2c(C(=O)N3CCCC3)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C24H27N3O2/c1-15-8-4-5-9-17(15)21-11-10-18-19(24(28)27-12-6-7-13-27)14-20-22(23(18)29-21)25-16(2)26(20)3/h4-5,8-9,14,21H,6-7,10-13H2,1-3H3/t21-/m0/s1
InChIKeyMOCUWIVXQICVQL-NRFANRHFSA-N
XLogP4.49
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone (CID 15602802) is [(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone is Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CCCC3)cc3c(nc(C)n3C)c2O1.
What is the InChIKey of [(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MOCUWIVXQICVQL-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-15-8-4-5-9-17(15)21-11-10-18-19(24(28)27-12-6-7-13-27)14-20-22(23(18)29-21)25-16(2)26(20)3/h4-5,8-9,14,21H,6-7,10-13H2,1-3H3/t21-/m0/s1.
What are the key properties of [(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 389.50 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 15602802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).