5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide

C14H23F3N4O3 — CID 143220603

IUPAC5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide
SMILESCCCCCN(C=O)C1=C(C(=O)N(C)CCO)NC(C(F)(F)F)N1
InChIInChI=1S/C14H23F3N4O3/c1-3-4-5-6-21(9-23)11-10(12(24)20(2)7-8-22)18-13(19-11)14(15,16)17/h9,13,18-19,22H,3-8H2,1-2H3
InChIKeyZWDYZCAEBRNQRY-UHFFFAOYSA-N
MW352.36 g/mol
LogP0.34
Rot. Bonds9

About 5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide

5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide (PubChem CID 143220603) has the molecular formula C14H23F3N4O3 and a molecular weight of 352.36 g/mol. Its IUPAC name is 5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide
PubChem CID143220603
Molecular FormulaC14H23F3N4O3
Molecular Weight352.36 g/mol
Exact Mass352.17
IUPAC Name5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide
SMILESCCCCCN(C=O)C1=C(C(=O)N(C)CCO)NC(C(F)(F)F)N1
InChIInChI=1S/C14H23F3N4O3/c1-3-4-5-6-21(9-23)11-10(12(24)20(2)7-8-22)18-13(19-11)14(15,16)17/h9,13,18-19,22H,3-8H2,1-2H3
InChIKeyZWDYZCAEBRNQRY-UHFFFAOYSA-N
XLogP0.34
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide?
The IUPAC name of 5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide (CID 143220603) is 5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide is CCCCCN(C=O)C1=C(C(=O)N(C)CCO)NC(C(F)(F)F)N1.
What is the InChIKey of 5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide?
The InChIKey is ZWDYZCAEBRNQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4O3/c1-3-4-5-6-21(9-23)11-10(12(24)20(2)7-8-22)18-13(19-11)14(15,16)17/h9,13,18-19,22H,3-8H2,1-2H3.
What are the key properties of 5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide?
5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 0.34, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[formyl(pentyl)amino]-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-imidazole-4-carboxamide is sourced from PubChem (CID 143220603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).