(4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

C20H21N3O — CID 2435970

IUPAC(4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C20H21N3O/c1-20(2,3)15-10-8-14(9-11-15)18(24)23-13-12-22-17-7-5-4-6-16(17)21-19(22)23/h4-11H,12-13H2,1-3H3
InChIKeyQTLCNTLZCAFICU-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.99
Rot. Bonds1

About (4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

(4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone (PubChem CID 2435970) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
PubChem CID2435970
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C20H21N3O/c1-20(2,3)15-10-8-14(9-11-15)18(24)23-13-12-22-17-7-5-4-6-16(17)21-19(22)23/h4-11H,12-13H2,1-3H3
InChIKeyQTLCNTLZCAFICU-UHFFFAOYSA-N
XLogP3.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone
CID 791787
4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide
CID 25345819
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 36567968
[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 166188422
(2,4-dichlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 975542
(2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride
CID 119265449
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602015
(3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
CID 66504605
(2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
CID 66504683
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone
CID 112813260
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 36566276
(2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid
CID 92506559

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone (CID 2435970) is (4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone is CC(C)(C)c1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The InChIKey is QTLCNTLZCAFICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-20(2,3)15-10-8-14(9-11-15)18(24)23-13-12-22-17-7-5-4-6-16(17)21-19(22)23/h4-11H,12-13H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
(4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone has a molecular weight of 319.41 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone is sourced from PubChem (CID 2435970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).