N-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide

C25H22N4O2 — CID 12005165

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c2C1=O
InChIInChI=1S/C25H22N4O2/c1-2-14-29-15-17-6-5-7-19(22(17)25(29)31)24(30)26-18-12-10-16(11-13-18)23-27-20-8-3-4-9-21(20)28-23/h3-13H,2,14-15H2,1H3,(H,26,30)(H,27,28)
InChIKeyGUMRKGOMKVSHAM-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.85
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide (PubChem CID 12005165) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide
PubChem CID12005165
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c2C1=O
InChIInChI=1S/C25H22N4O2/c1-2-14-29-15-17-6-5-7-19(22(17)25(29)31)24(30)26-18-12-10-16(11-13-18)23-27-20-8-3-4-9-21(20)28-23/h3-13H,2,14-15H2,1H3,(H,26,30)(H,27,28)
InChIKeyGUMRKGOMKVSHAM-UHFFFAOYSA-N
XLogP4.85
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide (CID 12005165) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide is CCCN1Cc2cccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c2C1=O.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The InChIKey is GUMRKGOMKVSHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-2-14-29-15-17-6-5-7-19(22(17)25(29)31)24(30)26-18-12-10-16(11-13-18)23-27-20-8-3-4-9-21(20)28-23/h3-13H,2,14-15H2,1H3,(H,26,30)(H,27,28).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 12005165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).