azane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine

C23H34N8O — CID 69414478

IUPACazane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine
SMILESCN1CCN(c2cc(C3C=NC(N)(c4ccc(N5CCOCC5)cc4)N3)ccn2)CC1.N
InChIInChI=1S/C23H31N7O.H3N/c1-28-8-10-30(11-9-28)22-16-18(6-7-25-22)21-17-26-23(24,27-21)19-2-4-20(5-3-19)29-12-14-31-15-13-29;/h2-7,16-17,21,27H,8-15,24H2,1H3;1H3
InChIKeyKYBQMPVNCUOZMA-UHFFFAOYSA-N
MW438.58 g/mol
LogP1.32
Rot. Bonds4

About azane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine

azane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine (PubChem CID 69414478) has the molecular formula C23H34N8O and a molecular weight of 438.58 g/mol. Its IUPAC name is azane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Nameazane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine
PubChem CID69414478
Molecular FormulaC23H34N8O
Molecular Weight438.58 g/mol
Exact Mass438.29
IUPAC Nameazane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine
SMILESCN1CCN(c2cc(C3C=NC(N)(c4ccc(N5CCOCC5)cc4)N3)ccn2)CC1.N
InChIInChI=1S/C23H31N7O.H3N/c1-28-8-10-30(11-9-28)22-16-18(6-7-25-22)21-17-26-23(24,27-21)19-2-4-20(5-3-19)29-12-14-31-15-13-29;/h2-7,16-17,21,27H,8-15,24H2,1H3;1H3
InChIKeyKYBQMPVNCUOZMA-UHFFFAOYSA-N
XLogP1.32
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine?
The IUPAC name of azane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine (CID 69414478) is azane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine.
What is the SMILES notation for azane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine?
The canonical SMILES for azane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine is CN1CCN(c2cc(C3C=NC(N)(c4ccc(N5CCOCC5)cc4)N3)ccn2)CC1.N.
What is the InChIKey of azane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine?
The InChIKey is KYBQMPVNCUOZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O.H3N/c1-28-8-10-30(11-9-28)22-16-18(6-7-25-22)21-17-26-23(24,27-21)19-2-4-20(5-3-19)29-12-14-31-15-13-29;/h2-7,16-17,21,27H,8-15,24H2,1H3;1H3.
What are the key properties of azane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine?
azane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine has a molecular weight of 438.58 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(4-morpholin-4-ylphenyl)-1,5-dihydroimidazol-2-amine is sourced from PubChem (CID 69414478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).