2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide

C7H12N4O — CID 62743615

IUPAC2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide
SMILESCc1ncc(CNCC(N)=O)[nH]1
InChIInChI=1S/C7H12N4O/c1-5-10-3-6(11-5)2-9-4-7(8)12/h3,9H,2,4H2,1H3,(H2,8,12)(H,10,11)
InChIKeyXMESNBIENOZWIR-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.71
Rot. Bonds4

About 2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide

2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide (PubChem CID 62743615) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide
PubChem CID62743615
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide
SMILESCc1ncc(CNCC(N)=O)[nH]1
InChIInChI=1S/C7H12N4O/c1-5-10-3-6(11-5)2-9-4-7(8)12/h3,9H,2,4H2,1H3,(H2,8,12)(H,10,11)
InChIKeyXMESNBIENOZWIR-UHFFFAOYSA-N
XLogP-0.71
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide?
The IUPAC name of 2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide (CID 62743615) is 2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide?
The canonical SMILES for 2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide is Cc1ncc(CNCC(N)=O)[nH]1.
What is the InChIKey of 2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide?
The InChIKey is XMESNBIENOZWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5-10-3-6(11-5)2-9-4-7(8)12/h3,9H,2,4H2,1H3,(H2,8,12)(H,10,11).
What are the key properties of 2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide?
2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide has a molecular weight of 168.20 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide is sourced from PubChem (CID 62743615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).