benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate

C30H24N4O4 — CID 11533491

IUPACbenzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate
SMILESO=C(Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1)OCc1ccccc1
InChIInChI=1S/C30H24N4O4/c35-27-23-13-7-8-14-24(23)30(37,34(27)18-20-9-3-1-4-10-20)22-15-16-25-26(17-22)32-28(31-25)33-29(36)38-19-21-11-5-2-6-12-21/h1-17,37H,18-19H2,(H2,31,32,33,36)
InChIKeyUKRPHGZPISJGSH-UHFFFAOYSA-N
MW504.55 g/mol
LogP5.16
Rot. Bonds6

About benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate

benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate (PubChem CID 11533491) has the molecular formula C30H24N4O4 and a molecular weight of 504.55 g/mol. Its IUPAC name is benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate
PubChem CID11533491
Molecular FormulaC30H24N4O4
Molecular Weight504.55 g/mol
Exact Mass504.18
IUPAC Namebenzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate
SMILESO=C(Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1)OCc1ccccc1
InChIInChI=1S/C30H24N4O4/c35-27-23-13-7-8-14-24(23)30(37,34(27)18-20-9-3-1-4-10-20)22-15-16-25-26(17-22)32-28(31-25)33-29(36)38-19-21-11-5-2-6-12-21/h1-17,37H,18-19H2,(H2,31,32,33,36)
InChIKeyUKRPHGZPISJGSH-UHFFFAOYSA-N
XLogP5.16
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate (CID 11533491) is benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate is O=C(Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1)OCc1ccccc1.
What is the InChIKey of benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate?
The InChIKey is UKRPHGZPISJGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O4/c35-27-23-13-7-8-14-24(23)30(37,34(27)18-20-9-3-1-4-10-20)22-15-16-25-26(17-22)32-28(31-25)33-29(36)38-19-21-11-5-2-6-12-21/h1-17,37H,18-19H2,(H2,31,32,33,36).
What are the key properties of benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate?
benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate has a molecular weight of 504.55 g/mol, XLogP of 5.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 11533491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).