4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide

C16H21N3O2 — CID 156708336

IUPAC4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide
SMILESCc1cn(C(=O)NCCC(C)C)c(Oc2ccccc2)n1
InChIInChI=1S/C16H21N3O2/c1-12(2)9-10-17-15(20)19-11-13(3)18-16(19)21-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,17,20)
InChIKeyJDNLEWKWGVHAJD-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.59
Rot. Bonds5

About 4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide

4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide (PubChem CID 156708336) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide
PubChem CID156708336
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide
SMILESCc1cn(C(=O)NCCC(C)C)c(Oc2ccccc2)n1
InChIInChI=1S/C16H21N3O2/c1-12(2)9-10-17-15(20)19-11-13(3)18-16(19)21-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,17,20)
InChIKeyJDNLEWKWGVHAJD-UHFFFAOYSA-N
XLogP3.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide (CID 156708336) is 4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide is Cc1cn(C(=O)NCCC(C)C)c(Oc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide?
The InChIKey is JDNLEWKWGVHAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)9-10-17-15(20)19-11-13(3)18-16(19)21-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,17,20).
What are the key properties of 4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide?
4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide is sourced from PubChem (CID 156708336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).