methyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate

C24H19ClN4O5 — CID 68813751

IUPACmethyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3cc(Cl)ccc3OC)cc2[nH]1
InChIInChI=1S/C24H19ClN4O5/c1-33-20-10-8-14(25)12-19(20)29-21(30)15-5-3-4-6-16(15)24(29,32)13-7-9-17-18(11-13)27-22(26-17)28-23(31)34-2/h3-12,32H,1-2H3,(H2,26,27,28,31)
InChIKeyFZXIJXIHTYTALC-UHFFFAOYSA-N
MW478.89 g/mol
LogP4.26
Rot. Bonds4

About methyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate

methyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate (PubChem CID 68813751) has the molecular formula C24H19ClN4O5 and a molecular weight of 478.89 g/mol. Its IUPAC name is methyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
PubChem CID68813751
Molecular FormulaC24H19ClN4O5
Molecular Weight478.89 g/mol
Exact Mass478.10
IUPAC Namemethyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3cc(Cl)ccc3OC)cc2[nH]1
InChIInChI=1S/C24H19ClN4O5/c1-33-20-10-8-14(25)12-19(20)29-21(30)15-5-3-4-6-16(15)24(29,32)13-7-9-17-18(11-13)27-22(26-17)28-23(31)34-2/h3-12,32H,1-2H3,(H2,26,27,28,31)
InChIKeyFZXIJXIHTYTALC-UHFFFAOYSA-N
XLogP4.26
TPSA116.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.89
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate (CID 68813751) is methyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate is COC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3cc(Cl)ccc3OC)cc2[nH]1.
What is the InChIKey of methyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate?
The InChIKey is FZXIJXIHTYTALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O5/c1-33-20-10-8-14(25)12-19(20)29-21(30)15-5-3-4-6-16(15)24(29,32)13-7-9-17-18(11-13)27-22(26-17)28-23(31)34-2/h3-12,32H,1-2H3,(H2,26,27,28,31).
What are the key properties of methyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate?
methyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate has a molecular weight of 478.89 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[2-(5-chloro-2-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 68813751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).