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

C25H29N3O4 — CID 67360244

IUPACcarbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one
SMILESCc1cccc2c1c(Cn1c(=O)n(C3CCCCC3)c3ccccc31)cn2C.O=C(O)O
InChIInChI=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)
InChIKeyJOFQOGVGUCFVCK-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.38
Rot. Bonds3

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 Namecarbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one
PubChem CID67360244
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Namecarbonic acid;1-cyclohexyl-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one
SMILESCc1cccc2c1c(Cn1c(=O)n(C3CCCCC3)c3ccccc31)cn2C.O=C(O)O
InChIInChI=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)
InChIKeyJOFQOGVGUCFVCK-UHFFFAOYSA-N
XLogP5.38
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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).