N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide

C13H15N3O2 — CID 60670634

IUPACN-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide
SMILESC=COCCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H15N3O2/c1-2-18-7-3-6-14-13(17)10-4-5-11-12(8-10)16-9-15-11/h2,4-5,8-9H,1,3,6-7H2,(H,14,17)(H,15,16)
InChIKeyZGXKXSUNBFLDMD-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.84
Rot. Bonds6

About N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide

N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide (PubChem CID 60670634) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide
PubChem CID60670634
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide
SMILESC=COCCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H15N3O2/c1-2-18-7-3-6-14-13(17)10-4-5-11-12(8-10)16-9-15-11/h2,4-5,8-9H,1,3,6-7H2,(H,14,17)(H,15,16)
InChIKeyZGXKXSUNBFLDMD-UHFFFAOYSA-N
XLogP1.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
CID 121379529
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-methoxyethoxy)-3H-benzimidazole-5-carboxamide
CID 79679920
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide (CID 60670634) is N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide is C=COCCCNC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ZGXKXSUNBFLDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-18-7-3-6-14-13(17)10-4-5-11-12(8-10)16-9-15-11/h2,4-5,8-9H,1,3,6-7H2,(H,14,17)(H,15,16).
What are the key properties of N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide?
N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 60670634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).