carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one

C25H29N3O4 — CID 67360244

About carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one

carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one (PubChem CID 67360244) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one.

Molecular Properties

• Compound Name: carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one
• PubChem CID: 67360244
• Molecular Formula: C25H29N3O4
• Molecular Weight: 435.52 g/mol
• Exact Mass: 435.22
• IUPAC Name: carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one
• SMILES: Cc1cccc2c1c(Cn1c(=O)n(C3CCCCC3)c3ccccc31)cn2C.O=C(O)O
• InChI: InChI=1S/C24H27N3O.CH2O3/c1-17-9-8-14-22-23(17)18(15-25(22)2)16-26-20-12-6-7-13-21(20)27(24(26)28)19-10-4-3-5-11-19;2-1(3)4/h6-9,12-15,19H,3-5,10-11,16H2,1-2H3;(H2,2,3,4)
• InChIKey: JOFQOGVGUCFVCK-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 89.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.52
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one?

The IUPAC name of carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one (CID 67360244) is carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one.

What is the SMILES notation for carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one?

The canonical SMILES for carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one is Cc1cccc2c1c(Cn1c(=O)n(C3CCCCC3)c3ccccc31)cn2C.O=C(O)O.

What is the InChIKey of carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one?

The InChIKey is JOFQOGVGUCFVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O.CH2O3/c1-17-9-8-14-22-23(17)18(15-25(22)2)16-26-20-12-6-7-13-21(20)27(24(26)28)19-10-4-3-5-11-19;2-1(3)4/h6-9,12-15,19H,3-5,10-11,16H2,1-2H3;(H2,2,3,4).

What are the key properties of carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one?

carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one has a molecular weight of 435.52 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for carbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one is sourced from PubChem (CID 67360244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).