1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide

C18H26N4O3 — CID 74234324

IUPAC1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
SMILESO=C(NCCN1CCCCC1CO)c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C18H26N4O3/c23-10-9-22-13-20-16-11-14(4-5-17(16)22)18(25)19-6-8-21-7-2-1-3-15(21)12-24/h4-5,11,13,15,23-24H,1-3,6-10,12H2,(H,19,25)
InChIKeyAZANCKSMLLJNMW-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.61
Rot. Bonds7

About 1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide

1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide (PubChem CID 74234324) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
PubChem CID74234324
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
SMILESO=C(NCCN1CCCCC1CO)c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C18H26N4O3/c23-10-9-22-13-20-16-11-14(4-5-17(16)22)18(25)19-6-8-21-7-2-1-3-15(21)12-24/h4-5,11,13,15,23-24H,1-3,6-10,12H2,(H,19,25)
InChIKeyAZANCKSMLLJNMW-UHFFFAOYSA-N
XLogP0.61
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyridine-4-carboxamide
CID 131945804
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505417
1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide
CID 74235390
N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53180053
1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide
CID 118792168
1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 131946409
4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126442623
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 125446361
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
CID 125163852
1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide
CID 126448246
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126434930
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide (CID 74234324) is 1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide is O=C(NCCN1CCCCC1CO)c1ccc2c(c1)ncn2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide?
The InChIKey is AZANCKSMLLJNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-10-9-22-13-20-16-11-14(4-5-17(16)22)18(25)19-6-8-21-7-2-1-3-15(21)12-24/h4-5,11,13,15,23-24H,1-3,6-10,12H2,(H,19,25).
What are the key properties of 1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide?
1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 74234324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).