3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride

C14H20Cl2N4O — CID 119856083

IUPAC3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1cccc(-c2nccn2C)c1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-10(15)8-13(19)17-12-5-3-4-11(9-12)14-16-6-7-18(14)2;;/h3-7,9-10H,8,15H2,1-2H3,(H,17,19);2*1H
InChIKeyZFZBBRCTOWQEOL-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.61
Rot. Bonds4

About 3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride

3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride (PubChem CID 119856083) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is 3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
PubChem CID119856083
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC Name3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1cccc(-c2nccn2C)c1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-10(15)8-13(19)17-12-5-3-4-11(9-12)14-16-6-7-18(14)2;;/h3-7,9-10H,8,15H2,1-2H3,(H,17,19);2*1H
InChIKeyZFZBBRCTOWQEOL-UHFFFAOYSA-N
XLogP2.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride 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

4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119856068
N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 60557169
1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111453463
1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119856062
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride
CID 120560585
1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111474632
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540
N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 84584319

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride (CID 119856083) is 3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride is CC(N)CC(=O)Nc1cccc(-c2nccn2C)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride?
The InChIKey is ZFZBBRCTOWQEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.2ClH/c1-10(15)8-13(19)17-12-5-3-4-11(9-12)14-16-6-7-18(14)2;;/h3-7,9-10H,8,15H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride?
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 119856083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).