2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole

C15H17N3 — CID 163551870

IUPAC2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole
SMILESCC(C)(C)c1cn2c(n1)CN=C2c1ccccc1
InChIInChI=1S/C15H17N3/c1-15(2,3)12-10-18-13(17-12)9-16-14(18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyBMOXCJHJMWKOET-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.99
Rot. Bonds1

About 2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole

2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole (PubChem CID 163551870) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole.

Molecular Properties

Compound Name2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole
PubChem CID163551870
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole
SMILESCC(C)(C)c1cn2c(n1)CN=C2c1ccccc1
InChIInChI=1S/C15H17N3/c1-15(2,3)12-10-18-13(17-12)9-16-14(18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyBMOXCJHJMWKOET-UHFFFAOYSA-N
XLogP2.99
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-5-(3-methylphenyl)-7H-imidazo[1,2-c]imidazole
CID 163551871
4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole
CID 177106243
4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one
CID 10954650
2-tert-butyl-6-pyridin-2-yl-7H-imidazo[1,2-b]pyrazole
CID 163632237
4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 155790859
4-tert-butyl-1-(4-phenylphenyl)triazole
CID 168776438
1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine
CID 621971
2-tert-butylimidazo[1,2-a]benzimidazol-4-amine
CID 3615654
3-tert-butyl-5-phenyl-1-(trifluoromethyl)pyrazole
CID 140579501
2-(4-phenylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 3697667
4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline
CID 170247126

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole?
The IUPAC name of 2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole (CID 163551870) is 2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole.
What is the SMILES notation for 2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole?
The canonical SMILES for 2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole is CC(C)(C)c1cn2c(n1)CN=C2c1ccccc1.
What is the InChIKey of 2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole?
The InChIKey is BMOXCJHJMWKOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-15(2,3)12-10-18-13(17-12)9-16-14(18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole?
2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole has a molecular weight of 239.32 g/mol, XLogP of 2.99, 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-phenyl-7H-imidazo[1,2-c]imidazole is sourced from PubChem (CID 163551870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).