5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

C88H109N13O — CID 159734687

IUPAC5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1cccc2[nH]c(N)nc12.CC(C)c1cccc2c(N)n[nH]c12.CC(C)c1ccnc2c1NCC2.CC(C)c1ccnc2cc[nH]c12.Cc1nc2c(C(C)C)cccc2[nH]1
InChIInChI=1S/C14H16.C12H14O.C11H14N2.C11H13N.2C10H13N3.C10H14N2.C10H12N2/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;1-6(2)7-4-3-5-8-9(7)12-13-10(8)11;2*1-7(2)8-3-5-11-9-4-6-12-10(8)9/h4-10H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;2*3-6H,1-2H3,(H3,11,12,13);3,5,7,12H,4,6H2,1-2H3;3-7,12H,1-2H3
InChIKeyNBRKJXYMMSWZSP-UHFFFAOYSA-N
MW1364.93 g/mol
LogP23.55
Rot. Bonds6

About 5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 159734687) has the molecular formula C88H109N13O and a molecular weight of 1364.93 g/mol. Its IUPAC name is 5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
PubChem CID159734687
Molecular FormulaC88H109N13O
Molecular Weight1364.93 g/mol
Exact Mass1363.89
IUPAC Name5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1cccc2[nH]c(N)nc12.CC(C)c1cccc2c(N)n[nH]c12.CC(C)c1ccnc2c1NCC2.CC(C)c1ccnc2cc[nH]c12.Cc1nc2c(C(C)C)cccc2[nH]1
InChIInChI=1S/C14H16.C12H14O.C11H14N2.C11H13N.2C10H13N3.C10H14N2.C10H12N2/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;1-6(2)7-4-3-5-8-9(7)12-13-10(8)11;2*1-7(2)8-3-5-11-9-4-6-12-10(8)9/h4-10H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;2*3-6H,1-2H3,(H3,11,12,13);3,5,7,12H,4,6H2,1-2H3;3-7,12H,1-2H3
InChIKeyNBRKJXYMMSWZSP-UHFFFAOYSA-N
XLogP23.55
TPSA220.61 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001364.93
LogP ≤ 523.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze 5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (CID 159734687) is 5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1cccc2[nH]c(N)nc12.CC(C)c1cccc2c(N)n[nH]c12.CC(C)c1ccnc2c1NCC2.CC(C)c1ccnc2cc[nH]c12.Cc1nc2c(C(C)C)cccc2[nH]1.
What is the InChIKey of 5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is NBRKJXYMMSWZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C12H14O.C11H14N2.C11H13N.2C10H13N3.C10H14N2.C10H12N2/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;1-6(2)7-4-3-5-8-9(7)12-13-10(8)11;2*1-7(2)8-3-5-11-9-4-6-12-10(8)9/h4-10H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;2*3-6H,1-2H3,(H3,11,12,13);3,5,7,12H,4,6H2,1-2H3;3-7,12H,1-2H3.
What are the key properties of 5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 1364.93 g/mol, XLogP of 23.55, 6 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-benzofuran;2-tert-butylnaphthalene;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 159734687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).