1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide

C19H28N4O3 — CID 118792168

IUPAC1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2ccc3c(c2)ncn3CCO)CC1
InChIInChI=1S/C19H28N4O3/c1-26-11-9-22-6-4-15(5-7-22)13-20-19(25)16-2-3-18-17(12-16)21-14-23(18)8-10-24/h2-3,12,14-15,24H,4-11,13H2,1H3,(H,20,25)
InChIKeyBXVVOEODFZMZQF-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.12
Rot. Bonds8

About 1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide

1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide (PubChem CID 118792168) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide
PubChem CID118792168
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2ccc3c(c2)ncn3CCO)CC1
InChIInChI=1S/C19H28N4O3/c1-26-11-9-22-6-4-15(5-7-22)13-20-19(25)16-2-3-18-17(12-16)21-14-23(18)8-10-24/h2-3,12,14-15,24H,4-11,13H2,1H3,(H,20,25)
InChIKeyBXVVOEODFZMZQF-UHFFFAOYSA-N
XLogP1.12
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide
CID 74235390
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 71880041
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556
1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 74234324
1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 131946409
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-methyl-4-nitrobenzamide
CID 16895526
N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53180053
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
[(2S)-2-(azepan-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone
CID 92611389
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide (CID 118792168) is 1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide is COCCN1CCC(CNC(=O)c2ccc3c(c2)ncn3CCO)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide?
The InChIKey is BXVVOEODFZMZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-26-11-9-22-6-4-15(5-7-22)13-20-19(25)16-2-3-18-17(12-16)21-14-23(18)8-10-24/h2-3,12,14-15,24H,4-11,13H2,1H3,(H,20,25).
What are the key properties of 1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide?
1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 118792168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).