N-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide

C15H19N3O2 — CID 142684761

IUPACN-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide
SMILESCC(C)c1[nH]cnc1C(=O)NCCOc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-11(2)13-14(18-10-17-13)15(19)16-8-9-20-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyCEMYYESXBRJZEE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.34
Rot. Bonds6

About N-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide

N-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide (PubChem CID 142684761) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide
PubChem CID142684761
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide
SMILESCC(C)c1[nH]cnc1C(=O)NCCOc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-11(2)13-14(18-10-17-13)15(19)16-8-9-20-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyCEMYYESXBRJZEE-UHFFFAOYSA-N
XLogP2.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.34
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

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CID 107026809
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CID 119268582
2-methylsulfanyl-N-(2-phenoxyethyl)benzamide
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N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
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4-hydroxy-N-(2-phenoxyethyl)pentanamide
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N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
2-oxo-N-(2-phenoxyethyl)-1H-pyridine-4-carboxamide
CID 103762674
1,1-bis(2-methylpropyl)-3-(2-phenoxyethyl)urea
CID 108887104
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
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2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide
CID 32935041

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide (CID 142684761) is N-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide is CC(C)c1[nH]cnc1C(=O)NCCOc1ccccc1.
What is the InChIKey of N-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide?
The InChIKey is CEMYYESXBRJZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)13-14(18-10-17-13)15(19)16-8-9-20-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide?
N-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-5-propan-2-yl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 142684761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).