2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide

C28H38N4O2 — CID 22181436

IUPAC2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCN2CCCCC2)cc1
InChIInChI=1S/C28H38N4O2/c1-4-31(5-2)28(33)23-12-15-26-25(21-23)29-27(20-22-10-13-24(14-11-22)34-6-3)32(26)19-18-30-16-8-7-9-17-30/h10-15,21H,4-9,16-20H2,1-3H3
InChIKeyJRJWAARCOBEVOL-UHFFFAOYSA-N
MW462.64 g/mol
LogP4.99
Rot. Bonds10

About 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide

2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide (PubChem CID 22181436) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide
PubChem CID22181436
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC Name2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCN2CCCCC2)cc1
InChIInChI=1S/C28H38N4O2/c1-4-31(5-2)28(33)23-12-15-26-25(21-23)29-27(20-22-10-13-24(14-11-22)34-6-3)32(26)19-18-30-16-8-7-9-17-30/h10-15,21H,4-9,16-20H2,1-3H3
InChIKeyJRJWAARCOBEVOL-UHFFFAOYSA-N
XLogP4.99
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide (CID 22181436) is 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide is CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCN2CCCCC2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide?
The InChIKey is JRJWAARCOBEVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-4-31(5-2)28(33)23-12-15-26-25(21-23)29-27(20-22-10-13-24(14-11-22)34-6-3)32(26)19-18-30-16-8-7-9-17-30/h10-15,21H,4-9,16-20H2,1-3H3.
What are the key properties of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide?
2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide has a molecular weight of 462.64 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 22181436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).