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

C22H24FN3O2 — CID 15602801

IUPAC(8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1cc(F)ccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C22H24FN3O2/c1-12-10-14(23)6-7-15(12)19-9-8-16-17(22(27)25(3)4)11-18-20(21(16)28-19)24-13(2)26(18)5/h6-7,10-11,19H,8-9H2,1-5H3/t19-/m0/s1
InChIKeyKAESHZVQRDUXKU-IBGZPJMESA-N
MW381.45 g/mol
LogP4.10
Rot. Bonds2

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

(8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (PubChem CID 15602801) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is (8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
PubChem CID15602801
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name(8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1cc(F)ccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C22H24FN3O2/c1-12-10-14(23)6-7-15(12)19-9-8-16-17(22(27)25(3)4)11-18-20(21(16)28-19)24-13(2)26(18)5/h6-7,10-11,19H,8-9H2,1-5H3/t19-/m0/s1
InChIKeyKAESHZVQRDUXKU-IBGZPJMESA-N
XLogP4.10
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The IUPAC name of (8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (CID 15602801) is (8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.
What is the SMILES notation for (8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The canonical SMILES for (8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is Cc1cc(F)ccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1.
What is the InChIKey of (8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The InChIKey is KAESHZVQRDUXKU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-12-10-14(23)6-7-15(12)19-9-8-16-17(22(27)25(3)4)11-18-20(21(16)28-19)24-13(2)26(18)5/h6-7,10-11,19H,8-9H2,1-5H3/t19-/m0/s1.
What are the key properties of (8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
(8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(4-fluoro-2-methylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 15602801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).