2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide

C14H23N3O2 — CID 126838832

IUPAC2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide
SMILESCCCCCOCC(=O)NC1CCCc2[nH]cnc21
InChIInChI=1S/C14H23N3O2/c1-2-3-4-8-19-9-13(18)17-12-7-5-6-11-14(12)16-10-15-11/h10,12H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyWAFVTPMDTMPXLT-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.11
Rot. Bonds7

About 2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide

2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide (PubChem CID 126838832) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide.

Molecular Properties

Compound Name2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide
PubChem CID126838832
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide
SMILESCCCCCOCC(=O)NC1CCCc2[nH]cnc21
InChIInChI=1S/C14H23N3O2/c1-2-3-4-8-19-9-13(18)17-12-7-5-6-11-14(12)16-10-15-11/h10,12H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyWAFVTPMDTMPXLT-UHFFFAOYSA-N
XLogP2.11
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.11
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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Related Compounds

4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide
CID 58413561
2-pentoxy-N-(thietan-3-yl)acetamide
CID 126832129
N-(4-aminocyclohexyl)-2-pentoxyacetamide
CID 119474713
N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide
CID 97347028
N-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide
CID 75484173
2-ethoxy-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 75484165
2-decoxy-N-sulfanylacetamide
CID 150404301
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-butoxybenzoate
CID 2585306
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide
CID 126832712
methyl (4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 94064285
3-oxo-N-(2-oxocyclopentyl)dodecanamide
CID 23396790

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide?
The IUPAC name of 2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide (CID 126838832) is 2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide.
What is the SMILES notation for 2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide?
The canonical SMILES for 2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide is CCCCCOCC(=O)NC1CCCc2[nH]cnc21.
What is the InChIKey of 2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide?
The InChIKey is WAFVTPMDTMPXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-4-8-19-9-13(18)17-12-7-5-6-11-14(12)16-10-15-11/h10,12H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide?
2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)acetamide is sourced from PubChem (CID 126838832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).