2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole

C78H134N16O — CID 158533181

IUPAC2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1cccn(C(C)C)c1=O.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)n1C.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cncc(C(C)C)c1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)n1C
InChIInChI=1S/C11H17NO.C11H17N.2C10H18N2.C10H16N2.C9H17N3.C9H16N2.C8H15N3/c1-8(2)10-6-5-7-12(9(3)4)11(10)13;1-8(2)10-5-11(9(3)4)7-12-6-10;1-7(2)9-6-12(5)10(11-9)8(3)4;1-7(2)9-6-11-10(8(3)4)12(9)5;1-7(2)9-5-11-10(8(3)4)12-6-9;1-6(2)8-10-11-9(7(3)4)12(8)5;1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h5-9H,1-4H3;5-9H,1-4H3;2*6-8H,1-5H3;5-8H,1-4H3;6-7H,1-5H3;5-7H,1-4H3,(H,10,11);5-6H,1-4H3,(H,9,10,11)
InChIKeyHNPZPADCYMXHPU-UHFFFAOYSA-N
MW1312.04 g/mol
LogP20.71
Rot. Bonds16

About 2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole

2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole (PubChem CID 158533181) has the molecular formula C78H134N16O and a molecular weight of 1312.04 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
PubChem CID158533181
Molecular FormulaC78H134N16O
Molecular Weight1312.04 g/mol
Exact Mass1311.09
IUPAC Name2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1cccn(C(C)C)c1=O.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)n1C.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cncc(C(C)C)c1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)n1C
InChIInChI=1S/C11H17NO.C11H17N.2C10H18N2.C10H16N2.C9H17N3.C9H16N2.C8H15N3/c1-8(2)10-6-5-7-12(9(3)4)11(10)13;1-8(2)10-5-11(9(3)4)7-12-6-10;1-7(2)9-6-12(5)10(11-9)8(3)4;1-7(2)9-6-11-10(8(3)4)12(9)5;1-7(2)9-5-11-10(8(3)4)12-6-9;1-6(2)8-10-11-9(7(3)4)12(8)5;1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h5-9H,1-4H3;5-9H,1-4H3;2*6-8H,1-5H3;5-8H,1-4H3;6-7H,1-5H3;5-7H,1-4H3,(H,10,11);5-6H,1-4H3,(H,9,10,11)
InChIKeyHNPZPADCYMXHPU-UHFFFAOYSA-N
XLogP20.71
TPSA197.27 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001312.04
LogP ≤ 520.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,5R)-3-[10-[6-(1H-imidazol-2-yl)-3-pyridinyl]-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 136259916
[(1R,5S)-3-[8-amino-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 73353453
3-methyl-N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136273211
[(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 73350474
3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137019328
2,2-dimethyl-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]propanamide
CID 137038770
N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137042009
2,2-dimethyl-N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137042553
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
N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137110517
2,2-dimethyl-N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137110733
US10544143, Example 561
CID 138686516

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
The IUPAC name of 2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole (CID 158533181) is 2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
The canonical SMILES for 2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole is CC(C)c1cccn(C(C)C)c1=O.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)n1C.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cncc(C(C)C)c1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)n1C.
What is the InChIKey of 2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
The InChIKey is HNPZPADCYMXHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C11H17N.2C10H18N2.C10H16N2.C9H17N3.C9H16N2.C8H15N3/c1-8(2)10-6-5-7-12(9(3)4)11(10)13;1-8(2)10-5-11(9(3)4)7-12-6-10;1-7(2)9-6-12(5)10(11-9)8(3)4;1-7(2)9-6-11-10(8(3)4)12(9)5;1-7(2)9-5-11-10(8(3)4)12-6-9;1-6(2)8-10-11-9(7(3)4)12(8)5;1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h5-9H,1-4H3;5-9H,1-4H3;2*6-8H,1-5H3;5-8H,1-4H3;6-7H,1-5H3;5-7H,1-4H3,(H,10,11);5-6H,1-4H3,(H,9,10,11).
What are the key properties of 2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole has a molecular weight of 1312.04 g/mol, XLogP of 20.71, 16 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;3,5-di(propan-2-yl)-1H-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 158533181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).