N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide

C13H17N3O3 — CID 110469142

IUPACN-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2ccc(C(=O)NCCOCCO)cc21
InChIInChI=1S/C13H17N3O3/c1-16-9-15-11-3-2-10(8-12(11)16)13(18)14-4-6-19-7-5-17/h2-3,8-9,17H,4-7H2,1H3,(H,14,18)
InChIKeySPTASXRKVKFFHY-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.31
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide (PubChem CID 110469142) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide
PubChem CID110469142
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2ccc(C(=O)NCCOCCO)cc21
InChIInChI=1S/C13H17N3O3/c1-16-9-15-11-3-2-10(8-12(11)16)13(18)14-4-6-19-7-5-17/h2-3,8-9,17H,4-7H2,1H3,(H,14,18)
InChIKeySPTASXRKVKFFHY-UHFFFAOYSA-N
XLogP0.31
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
CID 121379529
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
CID 110469163
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485493
N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
CID 110692569
3-methylbenzimidazole-5-carboxamide
CID 21105052
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469182
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485923

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide (CID 110469142) is N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide is Cn1cnc2ccc(C(=O)NCCOCCO)cc21.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide?
The InChIKey is SPTASXRKVKFFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16-9-15-11-3-2-10(8-12(11)16)13(18)14-4-6-19-7-5-17/h2-3,8-9,17H,4-7H2,1H3,(H,14,18).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110469142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).