4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide

C12H21N3O — CID 54393887

IUPAC4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide
SMILESCc1ncn(CCCC(=O)NC(C)C)c1C
InChIInChI=1S/C12H21N3O/c1-9(2)14-12(16)6-5-7-15-8-13-10(3)11(15)4/h8-9H,5-7H2,1-4H3,(H,14,16)
InChIKeyKWAKKUBAIXPTAI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.80
Rot. Bonds5

About 4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide

4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide (PubChem CID 54393887) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide
PubChem CID54393887
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide
SMILESCc1ncn(CCCC(=O)NC(C)C)c1C
InChIInChI=1S/C12H21N3O/c1-9(2)14-12(16)6-5-7-15-8-13-10(3)11(15)4/h8-9H,5-7H2,1-4H3,(H,14,16)
InChIKeyKWAKKUBAIXPTAI-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-oxopyrrolidin-1-yl)methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
CID 97519487
(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
N-[2-(5-methyl-1-propyl-1H-imidazol-2-yl)ethyl]propanamide
CID 124057663
(2S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-methylazepane-2-carboxamide
CID 129609068
2-methyl-1-[(3S)-3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 164633411
2-[5-(Aminomethyl)-4-methylimidazol-1-yl]-4,4,4-trifluorobutanamide
CID 21224533
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53685528
N-(1-(4,5-dicyano-1H-imidazol-1-yl)-1-oxopropan-2-yl)acetamide
CID 154585660
N-hexyl-1,4,5-trimethylimidazole-2-carboxamide
CID 162398071
2-(4,5-dimethylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115616733
N-methyl-3-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}butanamide
CID 50954861
N,N-dimethyl-2-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}propanamide
CID 50982626

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide (CID 54393887) is 4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide is Cc1ncn(CCCC(=O)NC(C)C)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide?
The InChIKey is KWAKKUBAIXPTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)14-12(16)6-5-7-15-8-13-10(3)11(15)4/h8-9H,5-7H2,1-4H3,(H,14,16).
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide?
4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide has a molecular weight of 223.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 54393887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).