5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole

C14H21N4+ — CID 58864852

IUPAC5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole
SMILESCC1CN=C(c2ccc(C3NC(C)C[NH2+]3)cc2)N1
InChIInChI=1S/C14H20N4/c1-9-7-15-13(17-9)11-3-5-12(6-4-11)14-16-8-10(2)18-14/h3-6,9-10,13,15,17H,7-8H2,1-2H3,(H,16,18)/p+1
InChIKeyGUXRNYMXVSJTEB-UHFFFAOYSA-O
MW245.35 g/mol
LogP-0.02
Rot. Bonds2

About 5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole

5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 58864852) has the molecular formula C14H21N4+ and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID58864852
Molecular FormulaC14H21N4+
Molecular Weight245.35 g/mol
Exact Mass245.18
IUPAC Name5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole
SMILESCC1CN=C(c2ccc(C3NC(C)C[NH2+]3)cc2)N1
InChIInChI=1S/C14H20N4/c1-9-7-15-13(17-9)11-3-5-12(6-4-11)14-16-8-10(2)18-14/h3-6,9-10,13,15,17H,7-8H2,1-2H3,(H,16,18)/p+1
InChIKeyGUXRNYMXVSJTEB-UHFFFAOYSA-O
XLogP-0.02
TPSA53.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole (CID 58864852) is 5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole is CC1CN=C(c2ccc(C3NC(C)C[NH2+]3)cc2)N1.
What is the InChIKey of 5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is GUXRNYMXVSJTEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N4/c1-9-7-15-13(17-9)11-3-5-12(6-4-11)14-16-8-10(2)18-14/h3-6,9-10,13,15,17H,7-8H2,1-2H3,(H,16,18)/p+1.
What are the key properties of 5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole?
5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 245.35 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 58864852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).