2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole

C16H19N3 — CID 163551871

IUPAC2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole
SMILESCc1cccc(C2=NCc3nc(C(C)(C)C)cn32)c1
InChIInChI=1S/C16H19N3/c1-11-6-5-7-12(8-11)15-17-9-14-18-13(10-19(14)15)16(2,3)4/h5-8,10H,9H2,1-4H3
InChIKeyHEEKOIVBWSQMJU-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.30
Rot. Bonds1

About 2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole

2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole (PubChem CID 163551871) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole.

Molecular Properties

Compound Name2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole
PubChem CID163551871
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole
SMILESCc1cccc(C2=NCc3nc(C(C)(C)C)cn32)c1
InChIInChI=1S/C16H19N3/c1-11-6-5-7-12(8-11)15-17-9-14-18-13(10-19(14)15)16(2,3)4/h5-8,10H,9H2,1-4H3
InChIKeyHEEKOIVBWSQMJU-UHFFFAOYSA-N
XLogP3.30
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole?
The IUPAC name of 2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole (CID 163551871) is 2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole.
What is the SMILES notation for 2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole?
The canonical SMILES for 2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole is Cc1cccc(C2=NCc3nc(C(C)(C)C)cn32)c1.
What is the InChIKey of 2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole?
The InChIKey is HEEKOIVBWSQMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-6-5-7-12(8-11)15-17-9-14-18-13(10-19(14)15)16(2,3)4/h5-8,10H,9H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole?
2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole has a molecular weight of 253.35 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole is sourced from PubChem (CID 163551871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).