1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine

C14H20N4 — CID 173222609

IUPAC1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine
SMILESCCC(Cc1ncc[nH]1)Nc1ccc(N)cc1C
InChIInChI=1S/C14H20N4/c1-3-12(9-14-16-6-7-17-14)18-13-5-4-11(15)8-10(13)2/h4-8,12,18H,3,9,15H2,1-2H3,(H,16,17)
InChIKeyAOYRVUIYKJPHSG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.73
Rot. Bonds5

About 1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine

1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine (PubChem CID 173222609) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine
PubChem CID173222609
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine
SMILESCCC(Cc1ncc[nH]1)Nc1ccc(N)cc1C
InChIInChI=1S/C14H20N4/c1-3-12(9-14-16-6-7-17-14)18-13-5-4-11(15)8-10(13)2/h4-8,12,18H,3,9,15H2,1-2H3,(H,16,17)
InChIKeyAOYRVUIYKJPHSG-UHFFFAOYSA-N
XLogP2.73
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine 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-N-[1-(1H-imidazol-2-yl)butan-2-yl]benzene-1,4-diamine
CID 173222747
1-(2,5-dimethylphenyl)-3-(1H-imidazol-2-yl)-N-methylpropan-2-amine
CID 62538180
5-amino-2-(1H-imidazol-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 103287114
2-[2-bromo-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
CID 61096174
2-methyl-1-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,4-diamine
CID 64546108
N-[1-(3-bromo-4-methylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 81471845
N-[1-(4-bromo-2-methylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43629894
1-(3,4-dimethylphenyl)-2-(1H-imidazol-2-yl)ethanol
CID 61083210
1-(1H-imidazol-2-yl)-N-methylundecan-2-amine
CID 65450081
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine
CID 104757851
2-(1H-imidazol-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 43464742

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine (CID 173222609) is 1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine is CCC(Cc1ncc[nH]1)Nc1ccc(N)cc1C.
What is the InChIKey of 1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine?
The InChIKey is AOYRVUIYKJPHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-12(9-14-16-6-7-17-14)18-13-5-4-11(15)8-10(13)2/h4-8,12,18H,3,9,15H2,1-2H3,(H,16,17).
What are the key properties of 1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine?
1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(1H-imidazol-2-yl)butan-2-yl]-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 173222609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).