N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

C30H24N4O2 — CID 44530887

IUPACN-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)CC5NC(=O)c6ccccc65)cc4)c3)nc12
InChIInChI=1S/C30H24N4O2/c1-18-6-4-11-25-28(18)34-29(32-25)21-8-5-7-20(16-21)19-12-14-22(15-13-19)31-27(35)17-26-23-9-2-3-10-24(23)30(36)33-26/h2-16,26H,17H2,1H3,(H,31,35)(H,32,34)(H,33,36)
InChIKeyUDBXBSLBGMVUOW-UHFFFAOYSA-N
MW472.55 g/mol
LogP6.02
Rot. Bonds5

About N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 44530887) has the molecular formula C30H24N4O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID44530887
Molecular FormulaC30H24N4O2
Molecular Weight472.55 g/mol
Exact Mass472.19
IUPAC NameN-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)CC5NC(=O)c6ccccc65)cc4)c3)nc12
InChIInChI=1S/C30H24N4O2/c1-18-6-4-11-25-28(18)34-29(32-25)21-8-5-7-20(16-21)19-12-14-22(15-13-19)31-27(35)17-26-23-9-2-3-10-24(23)30(36)33-26/h2-16,26H,17H2,1H3,(H,31,35)(H,32,34)(H,33,36)
InChIKeyUDBXBSLBGMVUOW-UHFFFAOYSA-N
XLogP6.02
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 44530887) is N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)CC5NC(=O)c6ccccc65)cc4)c3)nc12.
What is the InChIKey of N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is UDBXBSLBGMVUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O2/c1-18-6-4-11-25-28(18)34-29(32-25)21-8-5-7-20(16-21)19-12-14-22(15-13-19)31-27(35)17-26-23-9-2-3-10-24(23)30(36)33-26/h2-16,26H,17H2,1H3,(H,31,35)(H,32,34)(H,33,36).
What are the key properties of N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 472.55 g/mol, XLogP of 6.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 44530887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).