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

C23H24N4O4 — CID 11718713

IUPACmethyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3CC3CCCC3)cc2[nH]1
InChIInChI=1S/C23H24N4O4/c1-31-22(29)26-21-24-18-11-10-15(12-19(18)25-21)23(30)17-9-5-4-8-16(17)20(28)27(23)13-14-6-2-3-7-14/h4-5,8-12,14,30H,2-3,6-7,13H2,1H3,(H2,24,25,26,29)
InChIKeyGUJBTRGJWUYEAC-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.58
Rot. Bonds4

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

methyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate (PubChem CID 11718713) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is methyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
PubChem CID11718713
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Namemethyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3CC3CCCC3)cc2[nH]1
InChIInChI=1S/C23H24N4O4/c1-31-22(29)26-21-24-18-11-10-15(12-19(18)25-21)23(30)17-9-5-4-8-16(17)20(28)27(23)13-14-6-2-3-7-14/h4-5,8-12,14,30H,2-3,6-7,13H2,1H3,(H2,24,25,26,29)
InChIKeyGUJBTRGJWUYEAC-UHFFFAOYSA-N
XLogP3.58
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate (CID 11718713) is methyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate is COC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3CC3CCCC3)cc2[nH]1.
What is the InChIKey of methyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate?
The InChIKey is GUJBTRGJWUYEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-31-22(29)26-21-24-18-11-10-15(12-19(18)25-21)23(30)17-9-5-4-8-16(17)20(28)27(23)13-14-6-2-3-7-14/h4-5,8-12,14,30H,2-3,6-7,13H2,1H3,(H2,24,25,26,29).
What are the key properties of methyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate?
methyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate has a molecular weight of 420.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[2-(cyclopentylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 11718713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).