2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide

C15H27N3O2 — CID 175765343

IUPAC2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide
SMILESCCC(C)(C)c1nc(OC)n(C(N)=O)c1CCC(C)C
InChIInChI=1S/C15H27N3O2/c1-7-15(4,5)12-11(9-8-10(2)3)18(13(16)19)14(17-12)20-6/h10H,7-9H2,1-6H3,(H2,16,19)
InChIKeyJOTAXZONLXYOHV-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.09
Rot. Bonds6

About 2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide

2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide (PubChem CID 175765343) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide.

Molecular Properties

Compound Name2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide
PubChem CID175765343
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide
SMILESCCC(C)(C)c1nc(OC)n(C(N)=O)c1CCC(C)C
InChIInChI=1S/C15H27N3O2/c1-7-15(4,5)12-11(9-8-10(2)3)18(13(16)19)14(17-12)20-6/h10H,7-9H2,1-6H3,(H2,16,19)
InChIKeyJOTAXZONLXYOHV-UHFFFAOYSA-N
XLogP3.09
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide?
The IUPAC name of 2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide (CID 175765343) is 2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide.
What is the SMILES notation for 2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide?
The canonical SMILES for 2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide is CCC(C)(C)c1nc(OC)n(C(N)=O)c1CCC(C)C.
What is the InChIKey of 2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide?
The InChIKey is JOTAXZONLXYOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-7-15(4,5)12-11(9-8-10(2)3)18(13(16)19)14(17-12)20-6/h10H,7-9H2,1-6H3,(H2,16,19).
What are the key properties of 2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide?
2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methylbutan-2-yl)-5-(3-methylbutyl)imidazole-1-carboxamide is sourced from PubChem (CID 175765343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).