N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide

C13H23N3O2 — CID 111447010

IUPACN-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide
SMILESCC(O)CC(C)CNC(=O)CCCn1ccnc1
InChIInChI=1S/C13H23N3O2/c1-11(8-12(2)17)9-15-13(18)4-3-6-16-7-5-14-10-16/h5,7,10-12,17H,3-4,6,8-9H2,1-2H3,(H,15,18)
InChIKeyBDDZUZHVFKRAPE-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.19
Rot. Bonds8

About N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide

N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide (PubChem CID 111447010) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide
PubChem CID111447010
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide
SMILESCC(O)CC(C)CNC(=O)CCCn1ccnc1
InChIInChI=1S/C13H23N3O2/c1-11(8-12(2)17)9-15-13(18)4-3-6-16-7-5-14-10-16/h5,7,10-12,17H,3-4,6,8-9H2,1-2H3,(H,15,18)
InChIKeyBDDZUZHVFKRAPE-UHFFFAOYSA-N
XLogP1.19
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide
CID 109380543
N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
CID 119859023
N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide
CID 111483635
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783
9-imidazol-1-yl-N-methylnonanamide
CID 12803322
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide
CID 109409829
N-(4-imidazol-1-ylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79201805
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 118764826
4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
CID 90648227

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide (CID 111447010) is N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide is CC(O)CC(C)CNC(=O)CCCn1ccnc1.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide?
The InChIKey is BDDZUZHVFKRAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(8-12(2)17)9-15-13(18)4-3-6-16-7-5-14-10-16/h5,7,10-12,17H,3-4,6,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide?
N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide has a molecular weight of 253.35 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide is sourced from PubChem (CID 111447010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).