5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile

C25H24N4O2 — CID 44526184

IUPAC5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile
SMILESCN(C)CCOc1ccc2[nH]c(-c3cccc(OCc4ccccc4)c3)nc2c1C#N
InChIInChI=1S/C25H24N4O2/c1-29(2)13-14-30-23-12-11-22-24(21(23)16-26)28-25(27-22)19-9-6-10-20(15-19)31-17-18-7-4-3-5-8-18/h3-12,15H,13-14,17H2,1-2H3,(H,27,28)
InChIKeyMQVGINKJHZDFAA-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.62
Rot. Bonds8

About 5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile

5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile (PubChem CID 44526184) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile
PubChem CID44526184
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile
SMILESCN(C)CCOc1ccc2[nH]c(-c3cccc(OCc4ccccc4)c3)nc2c1C#N
InChIInChI=1S/C25H24N4O2/c1-29(2)13-14-30-23-12-11-22-24(21(23)16-26)28-25(27-22)19-9-6-10-20(15-19)31-17-18-7-4-3-5-8-18/h3-12,15H,13-14,17H2,1-2H3,(H,27,28)
InChIKeyMQVGINKJHZDFAA-UHFFFAOYSA-N
XLogP4.62
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile (CID 44526184) is 5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile is CN(C)CCOc1ccc2[nH]c(-c3cccc(OCc4ccccc4)c3)nc2c1C#N.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile?
The InChIKey is MQVGINKJHZDFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-29(2)13-14-30-23-12-11-22-24(21(23)16-26)28-25(27-22)19-9-6-10-20(15-19)31-17-18-7-4-3-5-8-18/h3-12,15H,13-14,17H2,1-2H3,(H,27,28).
What are the key properties of 5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile?
5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile has a molecular weight of 412.49 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-2-(3-phenylmethoxyphenyl)-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 44526184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).