N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide

C9H15N3O — CID 63929546

IUPACN-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C9H15N3O/c1-7(2)9(13)12(3)6-8-10-4-5-11-8/h4-5,7H,6H2,1-3H3,(H,10,11)
InChIKeyCTZFLJCJXRGBNM-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.02
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide

N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide (PubChem CID 63929546) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
PubChem CID63929546
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C9H15N3O/c1-7(2)9(13)12(3)6-8-10-4-5-11-8/h4-5,7H,6H2,1-3H3,(H,10,11)
InChIKeyCTZFLJCJXRGBNM-UHFFFAOYSA-N
XLogP1.02
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 64511881
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide
CID 64510546
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64517492
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64512267
6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide
CID 65291202
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide
CID 63939448
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312421
3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 64518886
3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64519617
1-(1H-imidazol-2-ylmethyl)-1-methylthiourea
CID 64511696
3-[(2R)-heptan-2-yl]-1-(1H-imidazol-2-ylmethyl)-1-methylurea
CID 122570121

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide (CID 63929546) is N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide is CC(C)C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide?
The InChIKey is CTZFLJCJXRGBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)9(13)12(3)6-8-10-4-5-11-8/h4-5,7H,6H2,1-3H3,(H,10,11).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide?
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide has a molecular weight of 181.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 63929546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).