5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine

C12H21N5 — CID 120971371

IUPAC5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)Cn1ccnc1CNC1=NCC(C)N1
InChIInChI=1S/C12H21N5/c1-9(2)8-17-5-4-13-11(17)7-15-12-14-6-10(3)16-12/h4-5,9-10H,6-8H2,1-3H3,(H2,14,15,16)
InChIKeyIMUARQYQOFOAHH-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.98
Rot. Bonds4

About 5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine

5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 120971371) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID120971371
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)Cn1ccnc1CNC1=NCC(C)N1
InChIInChI=1S/C12H21N5/c1-9(2)8-17-5-4-13-11(17)7-15-12-14-6-10(3)16-12/h4-5,9-10H,6-8H2,1-3H3,(H2,14,15,16)
InChIKeyIMUARQYQOFOAHH-UHFFFAOYSA-N
XLogP0.98
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 120971371) is 5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine is CC(C)Cn1ccnc1CNC1=NCC(C)N1.
What is the InChIKey of 5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is IMUARQYQOFOAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9(2)8-17-5-4-13-11(17)7-15-12-14-6-10(3)16-12/h4-5,9-10H,6-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 235.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 120971371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).