1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide

C25H34N4O2 — CID 22181394

IUPAC1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCN(C)C)cc1
InChIInChI=1S/C25H34N4O2/c1-6-28(7-2)25(30)20-11-14-23-22(18-20)26-24(29(23)16-15-27(4)5)17-19-9-12-21(13-10-19)31-8-3/h9-14,18H,6-8,15-17H2,1-5H3
InChIKeyROXBNNWLTLUZPU-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.07
Rot. Bonds10

About 1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide

1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide (PubChem CID 22181394) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
PubChem CID22181394
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCN(C)C)cc1
InChIInChI=1S/C25H34N4O2/c1-6-28(7-2)25(30)20-11-14-23-22(18-20)26-24(29(23)16-15-27(4)5)17-19-9-12-21(13-10-19)31-8-3/h9-14,18H,6-8,15-17H2,1-5H3
InChIKeyROXBNNWLTLUZPU-UHFFFAOYSA-N
XLogP4.07
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide (CID 22181394) is 1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide is CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCN(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
The InChIKey is ROXBNNWLTLUZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-6-28(7-2)25(30)20-11-14-23-22(18-20)26-24(29(23)16-15-27(4)5)17-19-9-12-21(13-10-19)31-8-3/h9-14,18H,6-8,15-17H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 22181394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).