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

C25H29N3O4 — CID 67361289

IUPACcarbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one
SMILESCc1cccc2c1c(Cn1c(=O)n(CC3CCCC3)c3ccccc31)cn2C.O=C(O)O
InChIInChI=1S/C24H27N3O.CH2O3/c1-17-8-7-13-22-23(17)19(15-25(22)2)16-27-21-12-6-5-11-20(21)26(24(27)28)14-18-9-3-4-10-18;2-1(3)4/h5-8,11-13,15,18H,3-4,9-10,14,16H2,1-2H3;(H2,2,3,4)
InChIKeyGGLINWCTZBPDBV-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.06
Rot. Bonds4

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

carbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one (PubChem CID 67361289) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is carbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one.

Molecular Properties

Compound Namecarbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one
PubChem CID67361289
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Namecarbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one
SMILESCc1cccc2c1c(Cn1c(=O)n(CC3CCCC3)c3ccccc31)cn2C.O=C(O)O
InChIInChI=1S/C24H27N3O.CH2O3/c1-17-8-7-13-22-23(17)19(15-25(22)2)16-27-21-12-6-5-11-20(21)26(24(27)28)14-18-9-3-4-10-18;2-1(3)4/h5-8,11-13,15,18H,3-4,9-10,14,16H2,1-2H3;(H2,2,3,4)
InChIKeyGGLINWCTZBPDBV-UHFFFAOYSA-N
XLogP5.06
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one?
The IUPAC name of carbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one (CID 67361289) is carbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one.
What is the SMILES notation for carbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one?
The canonical SMILES for carbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one is Cc1cccc2c1c(Cn1c(=O)n(CC3CCCC3)c3ccccc31)cn2C.O=C(O)O.
What is the InChIKey of carbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one?
The InChIKey is GGLINWCTZBPDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O.CH2O3/c1-17-8-7-13-22-23(17)19(15-25(22)2)16-27-21-12-6-5-11-20(21)26(24(27)28)14-18-9-3-4-10-18;2-1(3)4/h5-8,11-13,15,18H,3-4,9-10,14,16H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one?
carbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one has a molecular weight of 435.52 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one is sourced from PubChem (CID 67361289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).