1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine

C26H30Cl2N6 — CID 123680101

IUPAC1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc(-c2ccc(-c3ccc(-c4nc(C(N)C(C)C)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1
InChIInChI=1S/C26H30Cl2N6/c1-13(2)19(29)25-31-21(23(27)33-25)17-9-5-15(6-10-17)16-7-11-18(12-8-16)22-24(28)34-26(32-22)20(30)14(3)4/h5-14,19-20H,29-30H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyRYBCFQBXPLYWQT-UHFFFAOYSA-N
MW497.47 g/mol
LogP6.75
Rot. Bonds7

About 1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine

1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine (PubChem CID 123680101) has the molecular formula C26H30Cl2N6 and a molecular weight of 497.47 g/mol. Its IUPAC name is 1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine
PubChem CID123680101
Molecular FormulaC26H30Cl2N6
Molecular Weight497.47 g/mol
Exact Mass496.19
IUPAC Name1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc(-c2ccc(-c3ccc(-c4nc(C(N)C(C)C)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1
InChIInChI=1S/C26H30Cl2N6/c1-13(2)19(29)25-31-21(23(27)33-25)17-9-5-15(6-10-17)16-7-11-18(12-8-16)22-24(28)34-26(32-22)20(30)14(3)4/h5-14,19-20H,29-30H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyRYBCFQBXPLYWQT-UHFFFAOYSA-N
XLogP6.75
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.47
LogP ≤ 56.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine (CID 123680101) is 1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine is CC(C)C(N)c1nc(-c2ccc(-c3ccc(-c4nc(C(N)C(C)C)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1.
What is the InChIKey of 1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is RYBCFQBXPLYWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N6/c1-13(2)19(29)25-31-21(23(27)33-25)17-9-5-15(6-10-17)16-7-11-18(12-8-16)22-24(28)34-26(32-22)20(30)14(3)4/h5-14,19-20H,29-30H2,1-4H3,(H,31,33)(H,32,34).
What are the key properties of 1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine?
1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 497.47 g/mol, XLogP of 6.75, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-[2-(1-amino-2-methylpropyl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 123680101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).