1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide

C10H17N3O2 — CID 70981835

IUPAC1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(N)=O)cn1CCC(C)(C)O
InChIInChI=1S/C10H17N3O2/c1-7-12-8(9(11)14)6-13(7)5-4-10(2,3)15/h6,15H,4-5H2,1-3H3,(H2,11,14)
InChIKeyJTCJPXAVVNTIAM-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.45
Rot. Bonds4

About 1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide

1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide (PubChem CID 70981835) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide
PubChem CID70981835
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(N)=O)cn1CCC(C)(C)O
InChIInChI=1S/C10H17N3O2/c1-7-12-8(9(11)14)6-13(7)5-4-10(2,3)15/h6,15H,4-5H2,1-3H3,(H2,11,14)
InChIKeyJTCJPXAVVNTIAM-UHFFFAOYSA-N
XLogP0.45
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide?
The IUPAC name of 1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide (CID 70981835) is 1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide is Cc1nc(C(N)=O)cn1CCC(C)(C)O.
What is the InChIKey of 1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide?
The InChIKey is JTCJPXAVVNTIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-12-8(9(11)14)6-13(7)5-4-10(2,3)15/h6,15H,4-5H2,1-3H3,(H2,11,14).
What are the key properties of 1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide?
1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 70981835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).