2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide

C13H16N4O — CID 106591515

IUPAC2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ncc[nH]1)c1cccc(N)c1
InChIInChI=1S/C13H16N4O/c1-9(10-3-2-4-11(14)7-10)13(18)17-8-12-15-5-6-16-12/h2-7,9H,8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyGJODMCJVFAZDOK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.41
Rot. Bonds4

About 2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide

2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide (PubChem CID 106591515) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
PubChem CID106591515
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ncc[nH]1)c1cccc(N)c1
InChIInChI=1S/C13H16N4O/c1-9(10-3-2-4-11(14)7-10)13(18)17-8-12-15-5-6-16-12/h2-7,9H,8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyGJODMCJVFAZDOK-UHFFFAOYSA-N
XLogP1.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide
CID 64529573
2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 106591385
2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide
CID 106591203
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106391286
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]propanamide
CID 106591266
2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 106591544
2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106368778
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
4-(1H-imidazol-2-ylmethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498569

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide (CID 106591515) is 2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide is CC(C(=O)NCc1ncc[nH]1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The InChIKey is GJODMCJVFAZDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(10-3-2-4-11(14)7-10)13(18)17-8-12-15-5-6-16-12/h2-7,9H,8,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide is sourced from PubChem (CID 106591515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).