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

C23H24N4O4 — CID 11502662

IUPACmethyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3C3CCCCC3)cc2[nH]1
InChIInChI=1S/C23H24N4O4/c1-31-22(29)26-21-24-18-12-11-14(13-19(18)25-21)23(30)17-10-6-5-9-16(17)20(28)27(23)15-7-3-2-4-8-15/h5-6,9-13,15,30H,2-4,7-8H2,1H3,(H2,24,25,26,29)
InChIKeyKGRMJELEXWBRNA-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.72
Rot. Bonds3

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

methyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate (PubChem CID 11502662) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is methyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate
PubChem CID11502662
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Namemethyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3C3CCCCC3)cc2[nH]1
InChIInChI=1S/C23H24N4O4/c1-31-22(29)26-21-24-18-12-11-14(13-19(18)25-21)23(30)17-10-6-5-9-16(17)20(28)27(23)15-7-3-2-4-8-15/h5-6,9-13,15,30H,2-4,7-8H2,1H3,(H2,24,25,26,29)
InChIKeyKGRMJELEXWBRNA-UHFFFAOYSA-N
XLogP3.72
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate (CID 11502662) is methyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate is COC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3C3CCCCC3)cc2[nH]1.
What is the InChIKey of methyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate?
The InChIKey is KGRMJELEXWBRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-31-22(29)26-21-24-18-12-11-14(13-19(18)25-21)23(30)17-10-6-5-9-16(17)20(28)27(23)15-7-3-2-4-8-15/h5-6,9-13,15,30H,2-4,7-8H2,1H3,(H2,24,25,26,29).
What are the key properties of methyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate?
methyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate has a molecular weight of 420.47 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(2-cyclohexyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 11502662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).