2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide

C13H16N4O — CID 81321885

IUPAC2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESNCc1ccccc1CC(=O)NCc1ncc[nH]1
InChIInChI=1S/C13H16N4O/c14-8-11-4-2-1-3-10(11)7-13(18)17-9-12-15-5-6-16-12/h1-6H,7-9,14H2,(H,15,16)(H,17,18)
InChIKeyWERAIYDVRQAAGT-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.73
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide (PubChem CID 81321885) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
PubChem CID81321885
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESNCc1ccccc1CC(=O)NCc1ncc[nH]1
InChIInChI=1S/C13H16N4O/c14-8-11-4-2-1-3-10(11)7-13(18)17-9-12-15-5-6-16-12/h1-6H,7-9,14H2,(H,15,16)(H,17,18)
InChIKeyWERAIYDVRQAAGT-UHFFFAOYSA-N
XLogP0.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-pyridin-2-ylacetamide
CID 64529840
2-[2-(1H-imidazol-2-ylmethylamino)-2-oxoethyl]benzoic acid
CID 104601596
2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64517782
1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 64530642
N-(1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-5-yl)acetamide
CID 79139019
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 113315085
(2R)-2-amino-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide
CID 64529573
2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64531448
2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 77043322
N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide
CID 62951184
2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106135698
1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
CID 22439180

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide (CID 81321885) is 2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide is NCc1ccccc1CC(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide?
The InChIKey is WERAIYDVRQAAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-8-11-4-2-1-3-10(11)7-13(18)17-9-12-15-5-6-16-12/h1-6H,7-9,14H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide has a molecular weight of 244.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide is sourced from PubChem (CID 81321885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).