4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine

C23H24N6O — CID 121288455

IUPAC4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2cn(C[C@@H]3COc4ccc(C(C)C)cc43)cn2)c1
InChIInChI=1S/C23H24N6O/c1-14(2)16-4-5-22-19(8-16)18(12-30-22)10-29-11-21(25-13-29)20-9-17(6-7-24-20)23-15(3)26-28-27-23/h4-9,11,13-14,18H,10,12H2,1-3H3,(H,26,27,28)/t18-/m1/s1
InChIKeyADFWBQVSRPRCAK-GOSISDBHSA-N
MW400.49 g/mol
LogP4.34
Rot. Bonds5

About 4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine

4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine (PubChem CID 121288455) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
PubChem CID121288455
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2cn(C[C@@H]3COc4ccc(C(C)C)cc43)cn2)c1
InChIInChI=1S/C23H24N6O/c1-14(2)16-4-5-22-19(8-16)18(12-30-22)10-29-11-21(25-13-29)20-9-17(6-7-24-20)23-15(3)26-28-27-23/h4-9,11,13-14,18H,10,12H2,1-3H3,(H,26,27,28)/t18-/m1/s1
InChIKeyADFWBQVSRPRCAK-GOSISDBHSA-N
XLogP4.34
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine?
The IUPAC name of 4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine (CID 121288455) is 4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine.
What is the SMILES notation for 4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine?
The canonical SMILES for 4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine is Cc1n[nH]nc1-c1ccnc(-c2cn(C[C@@H]3COc4ccc(C(C)C)cc43)cn2)c1.
What is the InChIKey of 4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine?
The InChIKey is ADFWBQVSRPRCAK-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N6O/c1-14(2)16-4-5-22-19(8-16)18(12-30-22)10-29-11-21(25-13-29)20-9-17(6-7-24-20)23-15(3)26-28-27-23/h4-9,11,13-14,18H,10,12H2,1-3H3,(H,26,27,28)/t18-/m1/s1.
What are the key properties of 4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine?
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine has a molecular weight of 400.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine is sourced from PubChem (CID 121288455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).