1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine

C16H24N4 — CID 106567770

IUPAC1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine
SMILESCc1cn(-c2ccccc2)c(NC(C)CCN(C)C)n1
InChIInChI=1S/C16H24N4/c1-13(10-11-19(3)4)17-16-18-14(2)12-20(16)15-8-6-5-7-9-15/h5-9,12-13H,10-11H2,1-4H3,(H,17,18)
InChIKeyYCHQXJHWNBVANF-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.93
Rot. Bonds6

About 1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine

1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine (PubChem CID 106567770) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine
PubChem CID106567770
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine
SMILESCc1cn(-c2ccccc2)c(NC(C)CCN(C)C)n1
InChIInChI=1S/C16H24N4/c1-13(10-11-19(3)4)17-16-18-14(2)12-20(16)15-8-6-5-7-9-15/h5-9,12-13H,10-11H2,1-4H3,(H,17,18)
InChIKeyYCHQXJHWNBVANF-UHFFFAOYSA-N
XLogP2.93
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-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

N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine
CID 106555123
3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 106567746
4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707
3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 106567740
N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine
CID 106574831
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558500
1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106554234
4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571585
4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine
CID 106582396
1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine
CID 106553574
4-methyl-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)imidazol-2-amine
CID 106571085
1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine
CID 55173421

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine (CID 106567770) is 1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine is Cc1cn(-c2ccccc2)c(NC(C)CCN(C)C)n1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine?
The InChIKey is YCHQXJHWNBVANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13(10-11-19(3)4)17-16-18-14(2)12-20(16)15-8-6-5-7-9-15/h5-9,12-13H,10-11H2,1-4H3,(H,17,18).
What are the key properties of 1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine?
1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine is sourced from PubChem (CID 106567770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).