2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide

C10H17N3O — CID 116621752

IUPAC2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide
SMILESCc1ncn(C(C)C(=O)N(C)C)c1C
InChIInChI=1S/C10H17N3O/c1-7-8(2)13(6-11-7)9(3)10(14)12(4)5/h6,9H,1-5H3
InChIKeyBEVSJWPKMHDAGK-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.15
Rot. Bonds2

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

2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide (PubChem CID 116621752) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide
PubChem CID116621752
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide
SMILESCc1ncn(C(C)C(=O)N(C)C)c1C
InChIInChI=1S/C10H17N3O/c1-7-8(2)13(6-11-7)9(3)10(14)12(4)5/h6,9H,1-5H3
InChIKeyBEVSJWPKMHDAGK-UHFFFAOYSA-N
XLogP1.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4,5-dimethylimidazol-1-yl)propanoic acid
CID 82413382
methyl 2-(4,5-dimethylimidazol-1-yl)propanoate
CID 62350544
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114582538
2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide
CID 62352168
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114585181
N,N-dimethyl-2-(4-propan-2-ylimidazol-1-yl)propanamide
CID 134379970
1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one
CID 62349880
(2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide
CID 95141785
N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide
CID 62349835
N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
CID 66146748
4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64708137
N,N,1-trimethyl-1,2,4-triazole-3-carboxamide
CID 59693974

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide (CID 116621752) is 2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide is Cc1ncn(C(C)C(=O)N(C)C)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide?
The InChIKey is BEVSJWPKMHDAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-8(2)13(6-11-7)9(3)10(14)12(4)5/h6,9H,1-5H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide?
2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide has a molecular weight of 195.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 116621752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).