N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide

C9H15N3O — CID 126999527

IUPACN-(1H-imidazol-5-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cnc[nH]1
InChIInChI=1S/C9H15N3O/c1-4-9(2,3)8(13)12-7-5-10-6-11-7/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyDRMJUDYUPDDGLE-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.78
Rot. Bonds3

About N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide

N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide (PubChem CID 126999527) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-yl)-2,2-dimethylbutanamide
PubChem CID126999527
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(1H-imidazol-5-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cnc[nH]1
InChIInChI=1S/C9H15N3O/c1-4-9(2,3)8(13)12-7-5-10-6-11-7/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyDRMJUDYUPDDGLE-UHFFFAOYSA-N
XLogP1.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-5-yl)pentanamide
CID 130719648
methyl 2-(1H-imidazol-5-ylamino)acetate
CID 45120743
N-(2,2-dimethylpropyl)-1H-imidazol-5-amine
CID 130635294
1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one
CID 122629693
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid
CID 64527644
N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
CID 69165507
2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 79809348
N-[(1-methylcyclopropyl)methyl]-1H-imidazol-5-amine
CID 130621456
2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 62677107
5-(2,2-dimethylbutanoylamino)thiophene-2-carboxylic acid
CID 62678012
N-(4-carbamothioylphenyl)-2,2-dimethylbutanamide
CID 55103346

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide (CID 126999527) is N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide?
The InChIKey is DRMJUDYUPDDGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-9(2,3)8(13)12-7-5-10-6-11-7/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide?
N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide has a molecular weight of 181.24 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 126999527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).