N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide

C23H22N4O3 — CID 134127025

IUPACN-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
SMILESO=C(NCCO)c1ccc2c(c1)nc(COc1ccccc1)n2Cc1ccccn1
InChIInChI=1S/C23H22N4O3/c28-13-12-25-23(29)17-9-10-21-20(14-17)26-22(16-30-19-7-2-1-3-8-19)27(21)15-18-6-4-5-11-24-18/h1-11,14,28H,12-13,15-16H2,(H,25,29)
InChIKeyHNNLCXPYMXGJJF-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.78
Rot. Bonds8

About N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide

N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 134127025) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID134127025
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
SMILESO=C(NCCO)c1ccc2c(c1)nc(COc1ccccc1)n2Cc1ccccn1
InChIInChI=1S/C23H22N4O3/c28-13-12-25-23(29)17-9-10-21-20(14-17)26-22(16-30-19-7-2-1-3-8-19)27(21)15-18-6-4-5-11-24-18/h1-11,14,28H,12-13,15-16H2,(H,25,29)
InChIKeyHNNLCXPYMXGJJF-UHFFFAOYSA-N
XLogP2.78
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide
CID 134127033
1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide
CID 134127046
N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
CID 134127039
1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 134126984
N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide
CID 134127066
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid
CID 46309221
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
1-methyl-N-(3-pyridin-2-ylpropyl)benzotriazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 154892565
N-(2-amino-2-oxoethyl)-3-[(1-ethylbenzimidazol-2-yl)methoxy]benzamide
CID 167909677

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide (CID 134127025) is N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide is O=C(NCCO)c1ccc2c(c1)nc(COc1ccccc1)n2Cc1ccccn1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is HNNLCXPYMXGJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-13-12-25-23(29)17-9-10-21-20(14-17)26-22(16-30-19-7-2-1-3-8-19)27(21)15-18-6-4-5-11-24-18/h1-11,14,28H,12-13,15-16H2,(H,25,29).
What are the key properties of N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 134127025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).