7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole

C18H14N4O2 — CID 5028639

IUPAC7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole
SMILESCn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccccc3)nc12
InChIInChI=1S/C18H14N4O2/c1-20-17(14-8-5-9-15(10-14)22(23)24)12-21-11-16(19-18(20)21)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyOKSJCVRRWDNNPQ-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.91
Rot. Bonds3

About 7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole

7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole (PubChem CID 5028639) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole
PubChem CID5028639
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole
SMILESCn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccccc3)nc12
InChIInChI=1S/C18H14N4O2/c1-20-17(14-8-5-9-15(10-14)22(23)24)12-21-11-16(19-18(20)21)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyOKSJCVRRWDNNPQ-UHFFFAOYSA-N
XLogP3.91
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine
CID 3556479
2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole
CID 3912413
1,4-dimethyl-2-(3-nitrophenyl)imidazole
CID 174565698
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 45158631
8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 83966609
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-methyl-2-(3-nitrophenyl)imidazol-4-ol
CID 106952341
3-tert-butyl-1-methyl-5-(3-nitrophenyl)pyrazole
CID 154682928
3-methoxy-2-(3-nitrophenyl)-6-phenylpyridine
CID 11077630
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole?
The IUPAC name of 7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole (CID 5028639) is 7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole.
What is the SMILES notation for 7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole?
The canonical SMILES for 7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole is Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccccc3)nc12.
What is the InChIKey of 7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole?
The InChIKey is OKSJCVRRWDNNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-20-17(14-8-5-9-15(10-14)22(23)24)12-21-11-16(19-18(20)21)13-6-3-2-4-7-13/h2-12H,1H3.
What are the key properties of 7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole?
7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole has a molecular weight of 318.34 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole is sourced from PubChem (CID 5028639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).