1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole

C54H80N16O — CID 159095872

IUPAC1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1nnco1.CC(C)n1cccn1.CC(C)n1cnc2ccccc21.CC(C)n1nccn1
InChIInChI=1S/C10H12N2.C8H11N.2C7H10N2.2C6H10N2.C5H9N3.C5H8N2O/c1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)8-6-3-4-7-8;1-4(2)5-7-6-3-8-5/h3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3
InChIKeyKCQUOUUBZVEEQK-UHFFFAOYSA-N
MW969.35 g/mol
LogP13.07
Rot. Bonds8

About 1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole

1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole (PubChem CID 159095872) has the molecular formula C54H80N16O and a molecular weight of 969.35 g/mol. Its IUPAC name is 1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole.

Molecular Properties

Compound Name1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole
PubChem CID159095872
Molecular FormulaC54H80N16O
Molecular Weight969.35 g/mol
Exact Mass968.67
IUPAC Name1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1nnco1.CC(C)n1cccn1.CC(C)n1cnc2ccccc21.CC(C)n1nccn1
InChIInChI=1S/C10H12N2.C8H11N.2C7H10N2.2C6H10N2.C5H9N3.C5H8N2O/c1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)8-6-3-4-7-8;1-4(2)5-7-6-3-8-5/h3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3
InChIKeyKCQUOUUBZVEEQK-UHFFFAOYSA-N
XLogP13.07
TPSA198.40 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.35
LogP ≤ 513.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137088765
US10730877, Example 763
CID 138686401
US10730877, Example 767
CID 138722015
US10730877, Example 776
CID 138725606
US11111247, Example 21
CID 146448882
US10730877, Example 775
CID 147689106
[4-fluoro-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-[4-(5-methyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 71068463
2-[4-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]pyrazol-1-yl]-N-phenylacetamide;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(1-phenylpropan-2-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine
CID 69401888
4-methyl-3-[[1-(1H-pyrazolo[5,4-c]pyridin-4-ylmethyl)pyrazolo[4,5-c]pyridin-4-yl]methyl]imidazo[4,5-c]pyridine
CID 129058326
2-[4-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-2-[3-(4-methylpiperazin-1-yl)-N-[7-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]anilino]acetamide
CID 136360291
2-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
CID 136943560
N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137039366

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole?
The IUPAC name of 1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole (CID 159095872) is 1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole.
What is the SMILES notation for 1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole?
The canonical SMILES for 1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole is CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1nnco1.CC(C)n1cccn1.CC(C)n1cnc2ccccc21.CC(C)n1nccn1.
What is the InChIKey of 1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole?
The InChIKey is KCQUOUUBZVEEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C8H11N.2C7H10N2.2C6H10N2.C5H9N3.C5H8N2O/c1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)8-6-3-4-7-8;1-4(2)5-7-6-3-8-5/h3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of 1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole?
1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole has a molecular weight of 969.35 g/mol, XLogP of 13.07, 8 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole is sourced from PubChem (CID 159095872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).