3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C88H114N12O6 — CID 159999145

About 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 159999145) has the molecular formula C88H114N12O6 and a molecular weight of 1435.96 g/mol. Its IUPAC name is 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 159999145
• Molecular Formula: C88H114N12O6
• Molecular Weight: 1435.96 g/mol
• Exact Mass: 1434.90
• IUPAC Name: 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: CC/C=C(\CCC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CCCC(CCC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CCCC(O)(CCC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(C(O)(C(C)C)C(C)C)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/2C22H29N3O2.C22H29N3O.C22H27N3O/c1-11(2)22(26,12(3)4)17-9-16(19-13(5)25-27-14(19)6)10-18-20(17)24-21(23-18)15-7-8-15;1-5-9-22(26,10-6-2)17-11-16(19-13(3)25-27-14(19)4)12-18-20(17)24-21(23-18)15-7-8-15;2*1-5-7-15(8-6-2)18-11-17(20-13(3)25-26-14(20)4)12-19-21(18)24-22(23-19)16-9-10-16/h9-12,15,26H,7-8H2,1-6H3,(H,23,24);11-12,15,26H,5-10H2,1-4H3,(H,23,24);11-12,15-16H,5-10H2,1-4H3,(H,23,24);7,11-12,16H,5-6,8-10H2,1-4H3,(H,23,24)/b;;;15-7+
• InChIKey: OHYAUKKXRLIEQQ-PQWMEWGTSA-N
• XLogP: 23.41
• TPSA: 259.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1435.96
LogP ≤ 5	23.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 159999145) is 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is CC/C=C(\CCC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CCCC(CCC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CCCC(O)(CCC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(C(O)(C(C)C)C(C)C)c2nc(C3CC3)[nH]c2c1.

What is the InChIKey of 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is OHYAUKKXRLIEQQ-PQWMEWGTSA-N. The full InChI is InChI=1S/2C22H29N3O2.C22H29N3O.C22H27N3O/c1-11(2)22(26,12(3)4)17-9-16(19-13(5)25-27-14(19)6)10-18-20(17)24-21(23-18)15-7-8-15;1-5-9-22(26,10-6-2)17-11-16(19-13(3)25-27-14(19)4)12-18-20(17)24-21(23-18)15-7-8-15;2*1-5-7-15(8-6-2)18-11-17(20-13(3)25-26-14(20)4)12-19-21(18)24-22(23-19)16-9-10-16/h9-12,15,26H,7-8H2,1-6H3,(H,23,24);11-12,15,26H,5-10H2,1-4H3,(H,23,24);11-12,15-16H,5-10H2,1-4H3,(H,23,24);7,11-12,16H,5-6,8-10H2,1-4H3,(H,23,24)/b;;;15-7+.

What are the key properties of 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1435.96 g/mol, XLogP of 23.41, 25 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159999145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).