N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine

C32H37BrN8 — CID 123609323

IUPACN-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine
SMILESCC(C)(C)C(N)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(Nc5ncc(Br)cn5)C(C)(C)C)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C32H37BrN8/c1-31(2,3)26(34)28-35-17-24(39-28)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-36-29(40-25)27(32(4,5)6)41-30-37-15-23(33)16-38-30/h7-18,26-27H,34H2,1-6H3,(H,35,39)(H,36,40)(H,37,38,41)
InChIKeyJANHJDDHZFTAPZ-UHFFFAOYSA-N
MW613.61 g/mol
LogP7.93
Rot. Bonds7

About N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine

N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine (PubChem CID 123609323) has the molecular formula C32H37BrN8 and a molecular weight of 613.61 g/mol. Its IUPAC name is N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine
PubChem CID123609323
Molecular FormulaC32H37BrN8
Molecular Weight613.61 g/mol
Exact Mass612.23
IUPAC NameN-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine
SMILESCC(C)(C)C(N)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(Nc5ncc(Br)cn5)C(C)(C)C)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C32H37BrN8/c1-31(2,3)26(34)28-35-17-24(39-28)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-36-29(40-25)27(32(4,5)6)41-30-37-15-23(33)16-38-30/h7-18,26-27H,34H2,1-6H3,(H,35,39)(H,36,40)(H,37,38,41)
InChIKeyJANHJDDHZFTAPZ-UHFFFAOYSA-N
XLogP7.93
TPSA121.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.61
LogP ≤ 57.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine?
The IUPAC name of N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine (CID 123609323) is N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine.
What is the SMILES notation for N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine?
The canonical SMILES for N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine is CC(C)(C)C(N)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(Nc5ncc(Br)cn5)C(C)(C)C)[nH]4)cc3)cc2)[nH]1.
What is the InChIKey of N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine?
The InChIKey is JANHJDDHZFTAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37BrN8/c1-31(2,3)26(34)28-35-17-24(39-28)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-36-29(40-25)27(32(4,5)6)41-30-37-15-23(33)16-38-30/h7-18,26-27H,34H2,1-6H3,(H,35,39)(H,36,40)(H,37,38,41).
What are the key properties of N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine?
N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine has a molecular weight of 613.61 g/mol, XLogP of 7.93, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[4-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5-bromopyrimidin-2-amine is sourced from PubChem (CID 123609323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).