N-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C14H23N3O2 — CID 90640356

IUPACN-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCCOCCCNC(=O)C1CCc2nc(C)[nH]c2C1
InChIInChI=1S/C14H23N3O2/c1-3-19-8-4-7-15-14(18)11-5-6-12-13(9-11)17-10(2)16-12/h11H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXELBBUOLCRAPAQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.37
Rot. Bonds6

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

N-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640356) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640356
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCCOCCCNC(=O)C1CCc2nc(C)[nH]c2C1
InChIInChI=1S/C14H23N3O2/c1-3-19-8-4-7-15-14(18)11-5-6-12-13(9-11)17-10(2)16-12/h11H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXELBBUOLCRAPAQ-UHFFFAOYSA-N
XLogP1.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640356) is N-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is CCOCCCNC(=O)C1CCc2nc(C)[nH]c2C1.
What is the InChIKey of N-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is XELBBUOLCRAPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-19-8-4-7-15-14(18)11-5-6-12-13(9-11)17-10(2)16-12/h11H,3-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).