1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine

C85H73N11O3 — CID 159153100

IUPAC1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cccc(-c2ccc3[nH]c(=O)[nH]c3c2)c1.Cc1cccc(-c2ccc3[nH]ncc3c2)c1.Cc1cccc(-c2ccc3c(cnn3C)c2)c1.Cc1cccc(-c2ccc3oc(=O)[nH]c3c2)c1.Cc1cccc(-c2ccn3ccnc3c2)c1.Cc1cccc(-c2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C15H14N2.C14H12N2O.3C14H12N2.C14H11NO2/c1-11-4-3-5-12(8-11)13-6-7-15-14(9-13)10-16-17(15)2;1-9-3-2-4-10(7-9)11-5-6-12-13(8-11)16-14(17)15-12;1-11-3-2-4-12(9-11)13-5-7-16-8-6-15-14(16)10-13;1-10-3-2-4-11(7-10)13-8-12-5-6-15-14(12)16-9-13;1-10-3-2-4-11(7-10)12-5-6-14-13(8-12)9-15-16-14;1-9-3-2-4-10(7-9)11-5-6-13-12(8-11)15-14(16)17-13/h3-10H,1-2H3;2-8H,1H3,(H2,15,16,17);2-10H,1H3;2*2-9H,1H3,(H,15,16);2-8H,1H3,(H,15,16)
InChIKeyKJNZYMHETFUHAY-UHFFFAOYSA-N
MW1296.59 g/mol
LogP19.86
Rot. Bonds6

About 1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine

1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159153100) has the molecular formula C85H73N11O3 and a molecular weight of 1296.59 g/mol. Its IUPAC name is 1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID159153100
Molecular FormulaC85H73N11O3
Molecular Weight1296.59 g/mol
Exact Mass1295.59
IUPAC Name1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cccc(-c2ccc3[nH]c(=O)[nH]c3c2)c1.Cc1cccc(-c2ccc3[nH]ncc3c2)c1.Cc1cccc(-c2ccc3c(cnn3C)c2)c1.Cc1cccc(-c2ccc3oc(=O)[nH]c3c2)c1.Cc1cccc(-c2ccn3ccnc3c2)c1.Cc1cccc(-c2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C15H14N2.C14H12N2O.3C14H12N2.C14H11NO2/c1-11-4-3-5-12(8-11)13-6-7-15-14(9-13)10-16-17(15)2;1-9-3-2-4-10(7-9)11-5-6-12-13(8-11)16-14(17)15-12;1-11-3-2-4-12(9-11)13-5-7-16-8-6-15-14(16)10-13;1-10-3-2-4-11(7-10)13-8-12-5-6-15-14(12)16-9-13;1-10-3-2-4-11(7-10)12-5-6-14-13(8-12)9-15-16-14;1-9-3-2-4-10(7-9)11-5-6-13-12(8-11)15-14(16)17-13/h3-10H,1-2H3;2-8H,1H3,(H2,15,16,17);2-10H,1H3;2*2-9H,1H3,(H,15,16);2-8H,1H3,(H,15,16)
InChIKeyKJNZYMHETFUHAY-UHFFFAOYSA-N
XLogP19.86
TPSA187.13 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001296.59
LogP ≤ 519.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 159153100) is 1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine is Cc1cccc(-c2ccc3[nH]c(=O)[nH]c3c2)c1.Cc1cccc(-c2ccc3[nH]ncc3c2)c1.Cc1cccc(-c2ccc3c(cnn3C)c2)c1.Cc1cccc(-c2ccc3oc(=O)[nH]c3c2)c1.Cc1cccc(-c2ccn3ccnc3c2)c1.Cc1cccc(-c2cnc3[nH]ccc3c2)c1.
What is the InChIKey of 1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KJNZYMHETFUHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2.C14H12N2O.3C14H12N2.C14H11NO2/c1-11-4-3-5-12(8-11)13-6-7-15-14(9-13)10-16-17(15)2;1-9-3-2-4-10(7-9)11-5-6-12-13(8-11)16-14(17)15-12;1-11-3-2-4-12(9-11)13-5-7-16-8-6-15-14(16)10-13;1-10-3-2-4-11(7-10)13-8-12-5-6-15-14(12)16-9-13;1-10-3-2-4-11(7-10)12-5-6-14-13(8-12)9-15-16-14;1-9-3-2-4-10(7-9)11-5-6-13-12(8-11)15-14(16)17-13/h3-10H,1-2H3;2-8H,1H3,(H2,15,16,17);2-10H,1H3;2*2-9H,1H3,(H,15,16);2-8H,1H3,(H,15,16).
What are the key properties of 1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1296.59 g/mol, XLogP of 19.86, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylphenyl)indazole;5-(3-methylphenyl)-3H-1,3-benzoxazol-2-one;5-(3-methylphenyl)-1,3-dihydrobenzimidazol-2-one;7-(3-methylphenyl)imidazo[1,2-a]pyridine;5-(3-methylphenyl)-1H-indazole;5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159153100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).