2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide

C14H18N4O — CID 43701216

IUPAC2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C14H18N4O/c1-10(2)13(15)14(19)17-11-4-3-5-12(8-11)18-7-6-16-9-18/h3-10,13H,15H2,1-2H3,(H,17,19)
InChIKeyFRPMQQOZHULWIX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.79
Rot. Bonds4

About 2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide

2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide (PubChem CID 43701216) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
PubChem CID43701216
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C14H18N4O/c1-10(2)13(15)14(19)17-11-4-3-5-12(8-11)18-7-6-16-9-18/h3-10,13H,15H2,1-2H3,(H,17,19)
InChIKeyFRPMQQOZHULWIX-UHFFFAOYSA-N
XLogP1.79
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide
CID 81083217
2-amino-N-(3-imidazol-1-ylphenyl)hexanamide
CID 60853484
N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94814113
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
2-amino-2-cyclopropyl-N-(3-imidazol-1-ylphenyl)propanamide
CID 60868425
(2S)-2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-methylbutanamide
CID 119863677
3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 55121130
6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide
CID 62235091
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 28973657

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide (CID 43701216) is 2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide is CC(C)C(N)C(=O)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of 2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide?
The InChIKey is FRPMQQOZHULWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)13(15)14(19)17-11-4-3-5-12(8-11)18-7-6-16-9-18/h3-10,13H,15H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide?
2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide has a molecular weight of 258.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide is sourced from PubChem (CID 43701216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).