2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide

C9H16N4O — CID 62223227

IUPAC2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
SMILESCC(C)NCc1nccn1CC(N)=O
InChIInChI=1S/C9H16N4O/c1-7(2)12-5-9-11-3-4-13(9)6-8(10)14/h3-4,7,12H,5-6H2,1-2H3,(H2,10,14)
InChIKeyPAGBQWWRMFSLBI-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.13
Rot. Bonds5

About 2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide

2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide (PubChem CID 62223227) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
PubChem CID62223227
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
SMILESCC(C)NCc1nccn1CC(N)=O
InChIInChI=1S/C9H16N4O/c1-7(2)12-5-9-11-3-4-13(9)6-8(10)14/h3-4,7,12H,5-6H2,1-2H3,(H2,10,14)
InChIKeyPAGBQWWRMFSLBI-UHFFFAOYSA-N
XLogP-0.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
CID 62222354
N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 62222704
N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 62221282
2-[2-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenyl]acetic acid
CID 115463174
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanoic acid
CID 62221450
N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221280
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221278
3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
CID 62223381
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
CID 119892665
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
CID 65181164
2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 66401124
1-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892622

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide (CID 62223227) is 2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide is CC(C)NCc1nccn1CC(N)=O.
What is the InChIKey of 2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The InChIKey is PAGBQWWRMFSLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)12-5-9-11-3-4-13(9)6-8(10)14/h3-4,7,12H,5-6H2,1-2H3,(H2,10,14).
What are the key properties of 2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide has a molecular weight of 196.25 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 62223227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).