N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C17H21N3O2 — CID 91628312

IUPACN-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(C1CCc2nc[nH]c2C1)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H21N3O2/c21-9-8-20(11-13-4-2-1-3-5-13)17(22)14-6-7-15-16(10-14)19-12-18-15/h1-5,12,14,21H,6-11H2,(H,18,19)
InChIKeyHVEAUNBEEFAFLY-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.54
Rot. Bonds5

About N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 91628312) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID91628312
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(C1CCc2nc[nH]c2C1)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H21N3O2/c21-9-8-20(11-13-4-2-1-3-5-13)17(22)14-6-7-15-16(10-14)19-12-18-15/h1-5,12,14,21H,6-11H2,(H,18,19)
InChIKeyHVEAUNBEEFAFLY-UHFFFAOYSA-N
XLogP1.54
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628311
N-benzyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154564345
N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 22962010
N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138384008
N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 111477096
(5R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661224
N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600654
(6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 124507400
(5S)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660418
N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide
CID 6964229
(3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 97150658
indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 18985227

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 91628312) is N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C(C1CCc2nc[nH]c2C1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is HVEAUNBEEFAFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-9-8-20(11-13-4-2-1-3-5-13)17(22)14-6-7-15-16(10-14)19-12-18-15/h1-5,12,14,21H,6-11H2,(H,18,19).
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91628312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).