(2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide

C12H21N3O2 — CID 141169436

IUPAC(2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide
SMILESCC(C)C[C@@H](C(=O)NC(C)CO)n1ccnc1
InChIInChI=1S/C12H21N3O2/c1-9(2)6-11(15-5-4-13-8-15)12(17)14-10(3)7-16/h4-5,8-11,16H,6-7H2,1-3H3,(H,14,17)/t10?,11-/m0/s1
InChIKeyKTROAOXKMGQERG-DTIOYNMSSA-N
MW239.32 g/mol
LogP0.97
Rot. Bonds6

About (2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide

(2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide (PubChem CID 141169436) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide
PubChem CID141169436
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide
SMILESCC(C)C[C@@H](C(=O)NC(C)CO)n1ccnc1
InChIInChI=1S/C12H21N3O2/c1-9(2)6-11(15-5-4-13-8-15)12(17)14-10(3)7-16/h4-5,8-11,16H,6-7H2,1-3H3,(H,14,17)/t10?,11-/m0/s1
InChIKeyKTROAOXKMGQERG-DTIOYNMSSA-N
XLogP0.97
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide
CID 174566783
(2S)-2-imidazol-1-yl-4-methylpentan-1-ol
CID 10986662
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide
CID 126824390
N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide
CID 154843972
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide
CID 61155803
3-imidazol-1-yl-2-methylbutan-1-ol
CID 175456852
(3R)-3-imidazol-1-ylbutanoic acid
CID 683521
carbonic acid;1-propan-2-ylimidazole
CID 175084414
1-(2,2,5-trimethylhexan-3-yl)imidazole
CID 91156028
(3S)-3-imidazol-1-ylheptane-2,6-dione
CID 165036024
dimethyl 2-imidazol-1-ylbutanedioate
CID 10081893
2-imidazol-1-ylpropanoic acid
CID 16788764

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide?
The IUPAC name of (2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide (CID 141169436) is (2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide.
What is the SMILES notation for (2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide?
The canonical SMILES for (2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide is CC(C)C[C@@H](C(=O)NC(C)CO)n1ccnc1.
What is the InChIKey of (2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide?
The InChIKey is KTROAOXKMGQERG-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)6-11(15-5-4-13-8-15)12(17)14-10(3)7-16/h4-5,8-11,16H,6-7H2,1-3H3,(H,14,17)/t10?,11-/m0/s1.
What are the key properties of (2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide?
(2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide has a molecular weight of 239.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide is sourced from PubChem (CID 141169436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).