N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide

C10H17N3O2 — CID 106178294

IUPACN-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide
SMILESCCC(C)(CCO)NC(=O)n1ccnc1
InChIInChI=1S/C10H17N3O2/c1-3-10(2,4-7-14)12-9(15)13-6-5-11-8-13/h5-6,8,14H,3-4,7H2,1-2H3,(H,12,15)
InChIKeyOXXZDPPKYUGHKM-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.99
Rot. Bonds4

About N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide (PubChem CID 106178294) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide
PubChem CID106178294
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide
SMILESCCC(C)(CCO)NC(=O)n1ccnc1
InChIInChI=1S/C10H17N3O2/c1-3-10(2,4-7-14)12-9(15)13-6-5-11-8-13/h5-6,8,14H,3-4,7H2,1-2H3,(H,12,15)
InChIKeyOXXZDPPKYUGHKM-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
CID 110002138
N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106166604
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide
CID 113472607
N-ethoxyimidazole-1-carboxamide
CID 71385822
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
N-[(2S)-butan-2-yl]imidazole-1-carboxamide
CID 39871202
N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106166843
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942
N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide
CID 106168956
N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide
CID 43566693
N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide
CID 59251070

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide (CID 106178294) is N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide is CCC(C)(CCO)NC(=O)n1ccnc1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide?
The InChIKey is OXXZDPPKYUGHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-10(2,4-7-14)12-9(15)13-6-5-11-8-13/h5-6,8,14H,3-4,7H2,1-2H3,(H,12,15).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide is sourced from PubChem (CID 106178294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).