N-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide

C24H24N4O2 — CID 90683364

IUPACN-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide
SMILESCN(C)CCOc1ccc2c(c1)nc(NC(=O)c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-27(2)15-16-30-20-13-14-22-21(17-20)25-24(28(22)19-11-7-4-8-12-19)26-23(29)18-9-5-3-6-10-18/h3-14,17H,15-16H2,1-2H3,(H,25,26,29)
InChIKeyJRADTWPUSOHVIS-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.22
Rot. Bonds7

About N-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide

N-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide (PubChem CID 90683364) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide
PubChem CID90683364
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide
SMILESCN(C)CCOc1ccc2c(c1)nc(NC(=O)c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-27(2)15-16-30-20-13-14-22-21(17-20)25-24(28(22)19-11-7-4-8-12-19)26-23(29)18-9-5-3-6-10-18/h3-14,17H,15-16H2,1-2H3,(H,25,26,29)
InChIKeyJRADTWPUSOHVIS-UHFFFAOYSA-N
XLogP4.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide?
The IUPAC name of N-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide (CID 90683364) is N-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide?
The canonical SMILES for N-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide is CN(C)CCOc1ccc2c(c1)nc(NC(=O)c1ccccc1)n2-c1ccccc1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide?
The InChIKey is JRADTWPUSOHVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-27(2)15-16-30-20-13-14-22-21(17-20)25-24(28(22)19-11-7-4-8-12-19)26-23(29)18-9-5-3-6-10-18/h3-14,17H,15-16H2,1-2H3,(H,25,26,29).
What are the key properties of N-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide?
N-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]benzamide is sourced from PubChem (CID 90683364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).