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

C21H22FN3O2 — CID 15602797

IUPAC(8S)-8-(4-fluorophenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccc(F)cc1)O3
InChIInChI=1S/C21H22FN3O2/c1-12-23-19-17(25(12)4)11-16(21(26)24(2)3)15-9-10-18(27-20(15)19)13-5-7-14(22)8-6-13/h5-8,11,18H,9-10H2,1-4H3/t18-/m0/s1
InChIKeyKKFVCJNLARMDCK-SFHVURJKSA-N
MW367.42 g/mol
LogP3.79
Rot. Bonds2

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

(8S)-8-(4-fluorophenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (PubChem CID 15602797) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is (8S)-8-(4-fluorophenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(8S)-8-(4-fluorophenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
PubChem CID15602797
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name(8S)-8-(4-fluorophenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccc(F)cc1)O3
InChIInChI=1S/C21H22FN3O2/c1-12-23-19-17(25(12)4)11-16(21(26)24(2)3)15-9-10-18(27-20(15)19)13-5-7-14(22)8-6-13/h5-8,11,18H,9-10H2,1-4H3/t18-/m0/s1
InChIKeyKKFVCJNLARMDCK-SFHVURJKSA-N
XLogP3.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-(4-fluorophenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The IUPAC name of (8S)-8-(4-fluorophenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (CID 15602797) is (8S)-8-(4-fluorophenyl)-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-fluorophenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The canonical SMILES for (8S)-8-(4-fluorophenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccc(F)cc1)O3.
What is the InChIKey of (8S)-8-(4-fluorophenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The InChIKey is KKFVCJNLARMDCK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-12-23-19-17(25(12)4)11-16(21(26)24(2)3)15-9-10-18(27-20(15)19)13-5-7-14(22)8-6-13/h5-8,11,18H,9-10H2,1-4H3/t18-/m0/s1.
What are the key properties of (8S)-8-(4-fluorophenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
(8S)-8-(4-fluorophenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(4-fluorophenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 15602797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).