6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole

C100H156N32O7 — CID 158022019

IUPAC6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)C1=NC=NC1.CC(C)C1=NN=CC1.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]n1.CC(C)c1cnn2c1CCC2.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1ncco1.CC(C)c1ncn[nH]1.CC(C)c1ncno1.CC(C)c1ncon1.CC(C)c1nn[nH]n1.CC(C)c1nn[nH]n1
InChIInChI=1S/C11H15N.C10H12N2.C9H14N2.2C6H10N2.5C6H9NO.2C5H9N3.2C5H8N2O.2C4H8N4/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-6-10-11-5-3-4-9(8)11;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)5-6-3-8-7-5;1-4(2)5-6-3-7-8-5;2*1-3(2)4-5-7-8-6-4/h3-4,7-8,12H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);6-7H,3-5H2,1-2H3;2*4-5H,3H2,1-2H3;5*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);2*3-4H,1-2H3;2*3H,1-2H3,(H,5,6,7,8)
InChIKeyFGEBWNAPOLLVSC-UHFFFAOYSA-N
MW1918.56 g/mol
LogP23.89
Rot. Bonds16

About 6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole

6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 158022019) has the molecular formula C100H156N32O7 and a molecular weight of 1918.56 g/mol. Its IUPAC name is 6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID158022019
Molecular FormulaC100H156N32O7
Molecular Weight1918.56 g/mol
Exact Mass1917.28
IUPAC Name6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)C1=NC=NC1.CC(C)C1=NN=CC1.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]n1.CC(C)c1cnn2c1CCC2.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1ncco1.CC(C)c1ncn[nH]1.CC(C)c1ncno1.CC(C)c1ncon1.CC(C)c1nn[nH]n1.CC(C)c1nn[nH]n1
InChIInChI=1S/C11H15N.C10H12N2.C9H14N2.2C6H10N2.5C6H9NO.2C5H9N3.2C5H8N2O.2C4H8N4/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-6-10-11-5-3-4-9(8)11;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)5-6-3-8-7-5;1-4(2)5-6-3-7-8-5;2*1-3(2)4-5-7-8-6-4/h3-4,7-8,12H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);6-7H,3-5H2,1-2H3;2*4-5H,3H2,1-2H3;5*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);2*3-4H,1-2H3;2*3H,1-2H3,(H,5,6,7,8)
InChIKeyFGEBWNAPOLLVSC-UHFFFAOYSA-N
XLogP23.89
TPSA508.02 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds16
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001918.56
LogP ≤ 523.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole (CID 158022019) is 6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)C1=NC=NC1.CC(C)C1=NN=CC1.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]n1.CC(C)c1cnn2c1CCC2.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1ncco1.CC(C)c1ncn[nH]1.CC(C)c1ncno1.CC(C)c1ncon1.CC(C)c1nn[nH]n1.CC(C)c1nn[nH]n1.
What is the InChIKey of 6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is FGEBWNAPOLLVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C10H12N2.C9H14N2.2C6H10N2.5C6H9NO.2C5H9N3.2C5H8N2O.2C4H8N4/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-6-10-11-5-3-4-9(8)11;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)5-6-3-8-7-5;1-4(2)5-6-3-7-8-5;2*1-3(2)4-5-7-8-6-4/h3-4,7-8,12H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);6-7H,3-5H2,1-2H3;2*4-5H,3H2,1-2H3;5*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);2*3-4H,1-2H3;2*3H,1-2H3,(H,5,6,7,8).
What are the key properties of 6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 1918.56 g/mol, XLogP of 23.89, 16 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 158022019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).