1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol

C20H24N2O2 — CID 143201272

About 1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol

1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol (PubChem CID 143201272) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol.

Molecular Properties

• Compound Name: 1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol
• PubChem CID: 143201272
• Molecular Formula: C20H24N2O2
• Molecular Weight: 324.42 g/mol
• Exact Mass: 324.18
• IUPAC Name: 1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol
• SMILES: CC1=CCC=C(OCC(O)Cn2cnc3cc(C)c(C)cc32)C=C1
• InChI: InChI=1S/C20H24N2O2/c1-14-5-4-6-18(8-7-14)24-12-17(23)11-22-13-21-19-9-15(2)16(3)10-20(19)22/h5-10,13,17,23H,4,11-12H2,1-3H3
• InChIKey: QOBVKXJYBKFNQE-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 47.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.42
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol?

The IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol (CID 143201272) is 1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol.

What is the SMILES notation for 1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol?

The canonical SMILES for 1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol is CC1=CCC=C(OCC(O)Cn2cnc3cc(C)c(C)cc32)C=C1.

What is the InChIKey of 1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol?

The InChIKey is QOBVKXJYBKFNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-5-4-6-18(8-7-14)24-12-17(23)11-22-13-21-19-9-15(2)16(3)10-20(19)22/h5-10,13,17,23H,4,11-12H2,1-3H3.

What are the key properties of 1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol?

1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol has a molecular weight of 324.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol is sourced from PubChem (CID 143201272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).