N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide

C10H17N3O2 — CID 103860562

IUPACN-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
SMILESCC(CO)C(C)NC(=O)c1cn(C)cn1
InChIInChI=1S/C10H17N3O2/c1-7(5-14)8(2)12-10(15)9-4-13(3)6-11-9/h4,6-8,14H,5H2,1-3H3,(H,12,15)
InChIKeyNDTLNQCEZCZUJD-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.17
Rot. Bonds4

About N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide

N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide (PubChem CID 103860562) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
PubChem CID103860562
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
SMILESCC(CO)C(C)NC(=O)c1cn(C)cn1
InChIInChI=1S/C10H17N3O2/c1-7(5-14)8(2)12-10(15)9-4-13(3)6-11-9/h4,6-8,14H,5H2,1-3H3,(H,12,15)
InChIKeyNDTLNQCEZCZUJD-UHFFFAOYSA-N
XLogP0.17
TPSA67.15 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 ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
CID 107973269
N-(4-chloropentan-2-yl)-1-methylimidazole-4-carboxamide
CID 107975233
4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid
CID 107971121
N-(4-amino-4-sulfanylidenebutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107972197
N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide
CID 118535326
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107974224
(2R)-4-amino-2-[(1-methylimidazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 107971770
N-[1-(4-bromophenyl)ethyl]-1-methylimidazole-4-carboxamide
CID 113340016
N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide
CID 106180129
N-(2-amino-1-cyclopropylethyl)-1-methylimidazole-4-carboxamide
CID 107973326
5,5-dimethyl-3-[(1-methylimidazole-4-carbonyl)amino]hexanoic acid
CID 107971710
N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107975347

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide (CID 103860562) is N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide is CC(CO)C(C)NC(=O)c1cn(C)cn1.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide?
The InChIKey is NDTLNQCEZCZUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(5-14)8(2)12-10(15)9-4-13(3)6-11-9/h4,6-8,14H,5H2,1-3H3,(H,12,15).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide?
N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 103860562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).