N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide

C9H13N3O — CID 60731702

IUPACN-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)NC1CC1
InChIInChI=1S/C9H13N3O/c1-7-10-4-5-12(7)6-9(13)11-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,11,13)
InChIKeyOGFXOEQSHIGOPY-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.47
Rot. Bonds3

About N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide

N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide (PubChem CID 60731702) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
PubChem CID60731702
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)NC1CC1
InChIInChI=1S/C9H13N3O/c1-7-10-4-5-12(7)6-9(13)11-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,11,13)
InChIKeyOGFXOEQSHIGOPY-UHFFFAOYSA-N
XLogP0.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylimidazol-1-yl)-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124958753
2-methyl-N-[(1R,3R)-3-[[2-(2-methylimidazol-1-yl)acetyl]amino]cyclohexyl]pyrimidine-4-carboxamide
CID 167956137
1-cyclopentyl-2-(2-methylimidazol-1-yl)ethanone
CID 115919041
N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide
CID 44626128
2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537
N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
CID 63811458
N-(2-cyclohexylpyrazol-3-yl)-2-(2-methylimidazol-1-yl)acetamide
CID 46997255
(2R)-N-cyclopentyl-2-methyl-1-[2-(2-methylimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 95851894
3-methyl-1-(2-methylimidazol-1-yl)butan-2-one
CID 79395102
4-methyl-1-(2-methylimidazol-1-yl)pent-3-en-2-one
CID 131186404
N-cyclopropyl-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494026
2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide
CID 114561538

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide (CID 60731702) is N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide is Cc1nccn1CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide?
The InChIKey is OGFXOEQSHIGOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-10-4-5-12(7)6-9(13)11-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,11,13).
What are the key properties of N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide?
N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide has a molecular weight of 179.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 60731702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).