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Daridorexant

C23H23ClN6O2 — CID 91801202

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[(2S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1
InChIInChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1
InChIKeyNBGABHGMJVIVBW-QHCPKHFHSA-N
MW450.93 g/mol
LogP4.27
Rot. Bonds4

About Daridorexant

Daridorexant (PubChem CID 91801202) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is [(2S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound NameDaridorexant
PubChem CID91801202
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name[(2S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1
InChIInChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1
InChIKeyNBGABHGMJVIVBW-QHCPKHFHSA-N
XLogP4.27
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Daridorexant Hydrochloride
CID 91809208
US9732075, Example 6.133
CID 72694582
US9732075, Example 5.146
CID 72694992
US9732075, Example 6.141
CID 118126995
US9732075, Example 5.296
CID 118127015
US9732075, Example 3.11
CID 118127019
US9732075, Example 4.45
CID 118127025
US9732075, Example 3.51
CID 118127048
US9732075, Example 5.69
CID 118127060
US9732075, Example 6.186
CID 118127072
US9732075, Example 1.156
CID 118127141
US9732075, Example 3.23
CID 118127205

Frequently Asked Questions

What is the IUPAC name of Daridorexant?
The IUPAC name of Daridorexant (CID 91801202) is [(2S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for Daridorexant?
The canonical SMILES for Daridorexant is COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.
What is the InChIKey of Daridorexant?
The InChIKey is NBGABHGMJVIVBW-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1.
What are the key properties of Daridorexant?
Daridorexant has a molecular weight of 450.93 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Daridorexant is sourced from PubChem (CID 91801202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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