2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide

C10H18N4O — CID 66146321

IUPAC2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCNCc1cncn1CC(=O)NC(C)C
InChIInChI=1S/C10H18N4O/c1-8(2)13-10(15)6-14-7-12-5-9(14)4-11-3/h5,7-8,11H,4,6H2,1-3H3,(H,13,15)
InChIKeyDLMNVZRKRHGVIR-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.13
Rot. Bonds5

About 2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide

2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 66146321) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID66146321
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCNCc1cncn1CC(=O)NC(C)C
InChIInChI=1S/C10H18N4O/c1-8(2)13-10(15)6-14-7-12-5-9(14)4-11-3/h5,7-8,11H,4,6H2,1-3H3,(H,13,15)
InChIKeyDLMNVZRKRHGVIR-UHFFFAOYSA-N
XLogP0.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146319
2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146106
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146107
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718031
2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 62999572
N-methyl-1-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]methanamine
CID 83146515
2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide
CID 114715967
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718023
4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide
CID 66146111
N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide
CID 113408188
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide (CID 66146321) is 2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide is CNCc1cncn1CC(=O)NC(C)C.
What is the InChIKey of 2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is DLMNVZRKRHGVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(2)13-10(15)6-14-7-12-5-9(14)4-11-3/h5,7-8,11H,4,6H2,1-3H3,(H,13,15).
What are the key properties of 2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 210.28 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 66146321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).