4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine

C13H18N4 — CID 55011993

IUPAC4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine
SMILESCc1ccc(CN(C)c2nc(C)[nH]c2N)cc1
InChIInChI=1S/C13H18N4/c1-9-4-6-11(7-5-9)8-17(3)13-12(14)15-10(2)16-13/h4-7H,8,14H2,1-3H3,(H,15,16)
InChIKeyXKGQZTYPUXBOHY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.25
Rot. Bonds3

About 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine

4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine (PubChem CID 55011993) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine
PubChem CID55011993
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine
SMILESCc1ccc(CN(C)c2nc(C)[nH]c2N)cc1
InChIInChI=1S/C13H18N4/c1-9-4-6-11(7-5-9)8-17(3)13-12(14)15-10(2)16-13/h4-7H,8,14H2,1-3H3,(H,15,16)
InChIKeyXKGQZTYPUXBOHY-UHFFFAOYSA-N
XLogP2.25
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

KRH-3955 free base
CID 11950261
2-(4-Methylphenyl)-1H-imidazole
CID 594045
N-(4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-N',N'-dipropylbutane-1,4-diamine
CID 10253296
Benzyl-(1-methyl-6,9-dihydro-1H-purin-6-yl)-amine
CID 44353713
N-(1H-imidazol-2-ylmethyl)-N',N'-dimethyl-N-(2-methylbenzyl)ethane-1,2-diamine
CID 46985889
2-(4-hexylphenyl)-1H-imidazole
CID 137643627
[(1H-imidazol-2-yl)(phenyl)methyl](methyl)amine
CID 80284358
(4-(1H-imidazol-2-yl)phenyl)methanamine dihydrochloride
CID 138041009
(3-Imidazol-1-yl-propyl)-(4-methyl-benzyl)-amine
CID 3152372
3-benzyl-1H-imidazol-3-ium
CID 11716006
1-Benzyl-3-imidazolium chloride
CID 12392669
2-Phenyl-1H-imidazol-5-amine
CID 14960439

Frequently Asked Questions

What is the IUPAC name of 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine (CID 55011993) is 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine is Cc1ccc(CN(C)c2nc(C)[nH]c2N)cc1.
What is the InChIKey of 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine?
The InChIKey is XKGQZTYPUXBOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-4-6-11(7-5-9)8-17(3)13-12(14)15-10(2)16-13/h4-7H,8,14H2,1-3H3,(H,15,16).
What are the key properties of 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine?
4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine is sourced from PubChem (CID 55011993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).