2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide

C12H22N4O — CID 54032868

IUPAC2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1[nH]c(CC(=O)NCC(C)(C)C)nc1CN
InChIInChI=1S/C12H22N4O/c1-8-9(6-13)16-10(15-8)5-11(17)14-7-12(2,3)4/h5-7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyLGVXFGJTUHXRPK-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.88
Rot. Bonds4

About 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide

2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide (PubChem CID 54032868) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide
PubChem CID54032868
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1[nH]c(CC(=O)NCC(C)(C)C)nc1CN
InChIInChI=1S/C12H22N4O/c1-8-9(6-13)16-10(15-8)5-11(17)14-7-12(2,3)4/h5-7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyLGVXFGJTUHXRPK-UHFFFAOYSA-N
XLogP0.88
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide (CID 54032868) is 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide is Cc1[nH]c(CC(=O)NCC(C)(C)C)nc1CN.
What is the InChIKey of 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is LGVXFGJTUHXRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8-9(6-13)16-10(15-8)5-11(17)14-7-12(2,3)4/h5-7,13H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide?
2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 54032868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).