1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine

C22H44N6 — CID 123177615

IUPAC1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine
SMILES[H]/N=C1/N(CCCCC2CN=C(N)N2CCCCCCC)CCN1CC(C)CC
InChIInChI=1S/C22H44N6/c1-4-6-7-8-10-14-28-20(17-25-21(28)23)12-9-11-13-26-15-16-27(22(26)24)18-19(3)5-2/h19-20,24H,4-18H2,1-3H3,(H2,23,25)/b24-22-
InChIKeyWUBVRSYRVMJTAX-GYHWCHFESA-N
MW392.64 g/mol
LogP3.72
Rot. Bonds14

About 1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine

1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine (PubChem CID 123177615) has the molecular formula C22H44N6 and a molecular weight of 392.64 g/mol. Its IUPAC name is 1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine
PubChem CID123177615
Molecular FormulaC22H44N6
Molecular Weight392.64 g/mol
Exact Mass392.36
IUPAC Name1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine
SMILES[H]/N=C1/N(CCCCC2CN=C(N)N2CCCCCCC)CCN1CC(C)CC
InChIInChI=1S/C22H44N6/c1-4-6-7-8-10-14-28-20(17-25-21(28)23)12-9-11-13-26-15-16-27(22(26)24)18-19(3)5-2/h19-20,24H,4-18H2,1-3H3,(H2,23,25)/b24-22-
InChIKeyWUBVRSYRVMJTAX-GYHWCHFESA-N
XLogP3.72
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.64
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine (CID 123177615) is 1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine is [H]/N=C1/N(CCCCC2CN=C(N)N2CCCCCCC)CCN1CC(C)CC.
What is the InChIKey of 1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is WUBVRSYRVMJTAX-GYHWCHFESA-N. The full InChI is InChI=1S/C22H44N6/c1-4-6-7-8-10-14-28-20(17-25-21(28)23)12-9-11-13-26-15-16-27(22(26)24)18-19(3)5-2/h19-20,24H,4-18H2,1-3H3,(H2,23,25)/b24-22-.
What are the key properties of 1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine?
1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 392.64 g/mol, XLogP of 3.72, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-5-[4-[2-imino-3-(2-methylbutyl)imidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 123177615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).