N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine

C19H26N6 — CID 137340944

IUPACN'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1ncc(CN(CCN(C)C)Cc2ccc(-n3ccnc3)cc2)[nH]1
InChIInChI=1S/C19H26N6/c1-16-21-12-18(22-16)14-24(11-10-23(2)3)13-17-4-6-19(7-5-17)25-9-8-20-15-25/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,21,22)
InChIKeyXFGGYZZKQPAOTF-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.47
Rot. Bonds8

About N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine

N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 137340944) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID137340944
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1ncc(CN(CCN(C)C)Cc2ccc(-n3ccnc3)cc2)[nH]1
InChIInChI=1S/C19H26N6/c1-16-21-12-18(22-16)14-24(11-10-23(2)3)13-17-4-6-19(7-5-17)25-9-8-20-15-25/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,21,22)
InChIKeyXFGGYZZKQPAOTF-UHFFFAOYSA-N
XLogP2.47
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-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

formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol
CID 154916330
N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 78821034
N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110484011
N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615452
N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 166180627
N,N-dimethyl-N'-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46961962
methyl 2-[(4-imidazol-1-ylphenyl)methyl-methylamino]acetate
CID 60698042
(4-imidazol-1-ylphenyl)methyl-methylazanium
CID 7157370
1-(4-butylphenyl)imidazole
CID 174821695
2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 137335185
2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 135120698
4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
CID 138041303

Frequently Asked Questions

What is the IUPAC name of N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine (CID 137340944) is N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine is Cc1ncc(CN(CCN(C)C)Cc2ccc(-n3ccnc3)cc2)[nH]1.
What is the InChIKey of N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is XFGGYZZKQPAOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-16-21-12-18(22-16)14-24(11-10-23(2)3)13-17-4-6-19(7-5-17)25-9-8-20-15-25/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,21,22).
What are the key properties of N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine?
N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 338.46 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 137340944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).