4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide

C12H22N4O — CID 119892667

IUPAC4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide
SMILESCC(C)Cn1ccnc1CNC(=O)CCCN
InChIInChI=1S/C12H22N4O/c1-10(2)9-16-7-6-14-11(16)8-15-12(17)4-3-5-13/h6-7,10H,3-5,8-9,13H2,1-2H3,(H,15,17)
InChIKeyVZWFJNDUQQIWFK-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.89
Rot. Bonds7

About 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide

4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide (PubChem CID 119892667) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide
PubChem CID119892667
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide
SMILESCC(C)Cn1ccnc1CNC(=O)CCCN
InChIInChI=1S/C12H22N4O/c1-10(2)9-16-7-6-14-11(16)8-15-12(17)4-3-5-13/h6-7,10H,3-5,8-9,13H2,1-2H3,(H,15,17)
InChIKeyVZWFJNDUQQIWFK-UHFFFAOYSA-N
XLogP0.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
CID 119892665
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride
CID 120565762
7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride
CID 119762492
4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide
CID 110460814
4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 119857880
1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 95965670
1-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892622
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119892634
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119892617
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea
CID 75423072
2-methyl-1-(2-methylpropyl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
CID 111772918
1-(4-hydroxy-2,2-dimethylbutyl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 111507230

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide (CID 119892667) is 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide is CC(C)Cn1ccnc1CNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide?
The InChIKey is VZWFJNDUQQIWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)9-16-7-6-14-11(16)8-15-12(17)4-3-5-13/h6-7,10H,3-5,8-9,13H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide?
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide has a molecular weight of 238.33 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide is sourced from PubChem (CID 119892667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).