N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide

C11H19N3O2 — CID 107155312

IUPACN-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1cncn1C
InChIInChI=1S/C11H19N3O2/c1-8(2)4-9(15)5-13-11(16)10-6-12-7-14(10)3/h6-9,15H,4-5H2,1-3H3,(H,13,16)
InChIKeyTYBFHEYSNNMPKJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.56
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide

N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide (PubChem CID 107155312) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide
PubChem CID107155312
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1cncn1C
InChIInChI=1S/C11H19N3O2/c1-8(2)4-9(15)5-13-11(16)10-6-12-7-14(10)3/h6-9,15H,4-5H2,1-3H3,(H,13,16)
InChIKeyTYBFHEYSNNMPKJ-UHFFFAOYSA-N
XLogP0.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide
CID 103512202
N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide
CID 107261964
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-methylimidazole-4-carboxamide
CID 125445492
N-[2-(dimethylamino)-3-methylbutyl]-3-methylimidazole-4-carboxamide
CID 122568960
N-(2-bromopentyl)-3-methylimidazole-4-carboxamide
CID 103512206
N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide
CID 104629610
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
2-hydroxy-4-[(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 107832370
(2S)-2-hydroxy-4-[(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 107834565
N-(2-hydroxy-4-methylpentyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013000
3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 126796065
N-(3-chloropropyl)-3-methylimidazole-4-carboxamide
CID 103511152

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide (CID 107155312) is N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide is CC(C)CC(O)CNC(=O)c1cncn1C.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide?
The InChIKey is TYBFHEYSNNMPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)4-9(15)5-13-11(16)10-6-12-7-14(10)3/h6-9,15H,4-5H2,1-3H3,(H,13,16).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide?
N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 107155312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).