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

C7H12N4O — CID 63108748

IUPAC2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide
SMILESCNCc1cnc(CC(N)=O)[nH]1
InChIInChI=1S/C7H12N4O/c1-9-3-5-4-10-7(11-5)2-6(8)12/h4,9H,2-3H2,1H3,(H2,8,12)(H,10,11)
InChIKeyWFEHWGBNEPCERP-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.84
Rot. Bonds4

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

2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide (PubChem CID 63108748) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide
PubChem CID63108748
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide
SMILESCNCc1cnc(CC(N)=O)[nH]1
InChIInChI=1S/C7H12N4O/c1-9-3-5-4-10-7(11-5)2-6(8)12/h4,9H,2-3H2,1H3,(H2,8,12)(H,10,11)
InChIKeyWFEHWGBNEPCERP-UHFFFAOYSA-N
XLogP-0.84
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 ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide?
The IUPAC name of 2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide (CID 63108748) is 2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide?
The canonical SMILES for 2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide is CNCc1cnc(CC(N)=O)[nH]1.
What is the InChIKey of 2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide?
The InChIKey is WFEHWGBNEPCERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-9-3-5-4-10-7(11-5)2-6(8)12/h4,9H,2-3H2,1H3,(H2,8,12)(H,10,11).
What are the key properties of 2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide?
2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide has a molecular weight of 168.20 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 63108748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).