2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline

C126H167F3N18O2S — CID 164978253

About 2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline

2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline (PubChem CID 164978253) has the molecular formula C126H167F3N18O2S and a molecular weight of 2054.91 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline.

Molecular Properties

• Compound Name: 2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline
• PubChem CID: 164978253
• Molecular Formula: C126H167F3N18O2S
• Molecular Weight: 2054.91 g/mol
• Exact Mass: 2053.32
• IUPAC Name: 2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline
• SMILES: CC(C)C1=CCN(C)CC1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc2c(c1)N(C)CCO2.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1ccc2nn(CC3CC3)cc2c1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.Cc1nc2ccc(C(C)C)cc2n1C.Cc1nc2ccc(C(C)C)cc2n1C(F)(F)F
• InChI: InChI=1S/C14H18N2.C12H13F3N2.C12H16N2.C12H17NO.C12H13N.2C11H14N2.C10H11NS.C9H13NO.C9H17N.C8H11N.C6H10N2/c1-10(2)12-5-6-14-13(7-12)9-16(15-14)8-11-3-4-11;1-7(2)9-4-5-10-11(6-9)17(8(3)16-10)12(13,14)15;1-8(2)10-5-6-11-12(7-10)14(4)9(3)13-11;1-9(2)10-4-5-12-11(8-10)13(3)6-7-14-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;2*1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-5-9(11)10(3)6-8;1-8(2)9-4-6-10(3)7-5-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6/h5-7,9-11H,3-4,8H2,1-2H3;4-7H,1-3H3;5-8H,1-4H3;4-5,8-9H,6-7H2,1-3H3;3-9H,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4,8H,5-7H2,1-3H3;3-7H,1-2H3;3-5H,1-2H3,(H,7,8)
• InChIKey: FCGTYFAFUNYKKB-UHFFFAOYSA-N
• XLogP: 32.48
• TPSA: 194.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2054.91
LogP ≤ 5	32.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline?

The IUPAC name of 2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline (CID 164978253) is 2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline.

What is the SMILES notation for 2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline?

The canonical SMILES for 2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline is CC(C)C1=CCN(C)CC1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc2c(c1)N(C)CCO2.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1ccc2nn(CC3CC3)cc2c1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.Cc1nc2ccc(C(C)C)cc2n1C.Cc1nc2ccc(C(C)C)cc2n1C(F)(F)F.

What is the InChIKey of 2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline?

The InChIKey is FCGTYFAFUNYKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C12H13F3N2.C12H16N2.C12H17NO.C12H13N.2C11H14N2.C10H11NS.C9H13NO.C9H17N.C8H11N.C6H10N2/c1-10(2)12-5-6-14-13(7-12)9-16(15-14)8-11-3-4-11;1-7(2)9-4-5-10-11(6-9)17(8(3)16-10)12(13,14)15;1-8(2)10-5-6-11-12(7-10)14(4)9(3)13-11;1-9(2)10-4-5-12-11(8-10)13(3)6-7-14-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;2*1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-5-9(11)10(3)6-8;1-8(2)9-4-6-10(3)7-5-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6/h5-7,9-11H,3-4,8H2,1-2H3;4-7H,1-3H3;5-8H,1-4H3;4-5,8-9H,6-7H2,1-3H3;3-9H,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4,8H,5-7H2,1-3H3;3-7H,1-2H3;3-5H,1-2H3,(H,7,8).

What are the key properties of 2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline?

2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline has a molecular weight of 2054.91 g/mol, XLogP of 32.48, 14 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline is sourced from PubChem (CID 164978253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).