2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide

C11H19N3O2 — CID 106717474

IUPAC2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cnc(CO)c1
InChIInChI=1S/C11H19N3O2/c1-9(2)3-4-12-11(16)6-14-5-10(7-15)13-8-14/h5,8-9,15H,3-4,6-7H2,1-2H3,(H,12,16)
InChIKeySJFRQJZRJCDSHE-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.54
Rot. Bonds6

About 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide

2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 106717474) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID106717474
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cnc(CO)c1
InChIInChI=1S/C11H19N3O2/c1-9(2)3-4-12-11(16)6-14-5-10(7-15)13-8-14/h5,8-9,15H,3-4,6-7H2,1-2H3,(H,12,16)
InChIKeySJFRQJZRJCDSHE-UHFFFAOYSA-N
XLogP0.54
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719405
1-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717107
N-(2-cyanoethyl)-2-[4-(hydroxymethyl)imidazol-1-yl]acetamide
CID 106717415
2-[4-(hydroxymethyl)imidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 106717295
[1-(4-methylpentyl)imidazol-4-yl]methanol
CID 106717619
N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719404
2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 106717340
N-(3-methylbutyl)-2-pyrrol-1-ylacetamide
CID 63809996
N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide
CID 79984949
2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide
CID 106718094
N-(2-methoxyethyl)-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetamide
CID 106720510
N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
CID 63811458

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide (CID 106717474) is 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1cnc(CO)c1.
What is the InChIKey of 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is SJFRQJZRJCDSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)3-4-12-11(16)6-14-5-10(7-15)13-8-14/h5,8-9,15H,3-4,6-7H2,1-2H3,(H,12,16).
What are the key properties of 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide?
2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 225.29 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 106717474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).