N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride

C12H16ClN3O3 — CID 121379529

IUPACN-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCCOCCO)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H15N3O3.ClH/c16-4-6-18-5-3-13-12(17)9-1-2-10-11(7-9)15-8-14-10;/h1-2,7-8,16H,3-6H2,(H,13,17)(H,14,15);1H
InChIKeyZURQYVFJRHAWIL-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.72
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride

N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride (PubChem CID 121379529) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
PubChem CID121379529
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCCOCCO)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H15N3O3.ClH/c16-4-6-18-5-3-13-12(17)9-1-2-10-11(7-9)15-8-14-10;/h1-2,7-8,16H,3-6H2,(H,13,17)(H,14,15);1H
InChIKeyZURQYVFJRHAWIL-UHFFFAOYSA-N
XLogP0.72
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide
CID 60670634
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3H-benzimidazole-5-carboxamide
CID 87641499
N-[2-(diaminomethylideneamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 151125150
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide
CID 110469142

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride (CID 121379529) is N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride is Cl.O=C(NCCOCCO)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride?
The InChIKey is ZURQYVFJRHAWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.ClH/c16-4-6-18-5-3-13-12(17)9-1-2-10-11(7-9)15-8-14-10;/h1-2,7-8,16H,3-6H2,(H,13,17)(H,14,15);1H.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride?
N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride has a molecular weight of 285.73 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 121379529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).