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

C26H36N8 — CID 158986522

IUPACN'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1[nH]cnc1-c1ccccc1.CN(CCN)Cc1[nH]cnc1-c1ccccc1
InChIInChI=1S/2C13H18N4/c2*1-17(8-7-14)9-12-13(16-10-15-12)11-5-3-2-4-6-11/h2*2-6,10H,7-9,14H2,1H3,(H,15,16)
InChIKeyJPQDSCMSZWPTQH-UHFFFAOYSA-N
MW460.63 g/mol
LogP2.93
Rot. Bonds10

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

N'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 158986522) has the molecular formula C26H36N8 and a molecular weight of 460.63 g/mol. Its IUPAC name is N'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID158986522
Molecular FormulaC26H36N8
Molecular Weight460.63 g/mol
Exact Mass460.31
IUPAC NameN'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1[nH]cnc1-c1ccccc1.CN(CCN)Cc1[nH]cnc1-c1ccccc1
InChIInChI=1S/2C13H18N4/c2*1-17(8-7-14)9-12-13(16-10-15-12)11-5-3-2-4-6-11/h2*2-6,10H,7-9,14H2,1H3,(H,15,16)
InChIKeyJPQDSCMSZWPTQH-UHFFFAOYSA-N
XLogP2.93
TPSA115.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine (CID 158986522) is N'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine is CN(CCN)Cc1[nH]cnc1-c1ccccc1.CN(CCN)Cc1[nH]cnc1-c1ccccc1.
What is the InChIKey of N'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is JPQDSCMSZWPTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18N4/c2*1-17(8-7-14)9-12-13(16-10-15-12)11-5-3-2-4-6-11/h2*2-6,10H,7-9,14H2,1H3,(H,15,16).
What are the key properties of N'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine?
N'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 460.63 g/mol, XLogP of 2.93, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(4-phenyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 158986522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).