N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide

C14H19N3O3 — CID 60668649

IUPACN-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
SMILESCOCCOCCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H19N3O3/c1-19-7-8-20-6-2-5-15-14(18)11-3-4-12-13(9-11)17-10-16-12/h3-4,9-10H,2,5-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyPWSPMUKOBRJNPM-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.35
Rot. Bonds8

About N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide

N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide (PubChem CID 60668649) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
PubChem CID60668649
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
SMILESCOCCOCCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H19N3O3/c1-19-7-8-20-6-2-5-15-14(18)11-3-4-12-13(9-11)17-10-16-12/h3-4,9-10H,2,5-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyPWSPMUKOBRJNPM-UHFFFAOYSA-N
XLogP1.35
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
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-ethenoxypropyl)-3H-benzimidazole-5-carboxamide
CID 60670634
N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
CID 121379529
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide
CID 79679920
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795807
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
3-methoxypropyl 3H-benzimidazole-5-carboxylate
CID 126834067
N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 43397885

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide (CID 60668649) is N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide is COCCOCCCNC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is PWSPMUKOBRJNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-7-8-20-6-2-5-15-14(18)11-3-4-12-13(9-11)17-10-16-12/h3-4,9-10H,2,5-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide?
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 60668649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).