4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine

C14H20N4 — CID 55011806

IUPAC4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine
SMILESCCCN(Cc1ccccc1)c1nc(C)[nH]c1N
InChIInChI=1S/C14H20N4/c1-3-9-18(10-12-7-5-4-6-8-12)14-13(15)16-11(2)17-14/h4-8H,3,9-10,15H2,1-2H3,(H,16,17)
InChIKeyGJCXFPGHAWSDLY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.72
Rot. Bonds5

About 4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine

4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine (PubChem CID 55011806) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine
PubChem CID55011806
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine
SMILESCCCN(Cc1ccccc1)c1nc(C)[nH]c1N
InChIInChI=1S/C14H20N4/c1-3-9-18(10-12-7-5-4-6-8-12)14-13(15)16-11(2)17-14/h4-8H,3,9-10,15H2,1-2H3,(H,16,17)
InChIKeyGJCXFPGHAWSDLY-UHFFFAOYSA-N
XLogP2.72
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine (CID 55011806) is 4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine is CCCN(Cc1ccccc1)c1nc(C)[nH]c1N.
What is the InChIKey of 4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine?
The InChIKey is GJCXFPGHAWSDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-9-18(10-12-7-5-4-6-8-12)14-13(15)16-11(2)17-14/h4-8H,3,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine?
4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 55011806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).