4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole

C14H16N4 — CID 121465805

IUPAC4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole
SMILESCC(C)c1c2c(c(C(C)C)c3c1=NCN=3)N=C=N2
InChIInChI=1S/C14H16N4/c1-7(2)9-11-13(17-5-15-11)10(8(3)4)14-12(9)16-6-18-14/h7-8H,5H2,1-4H3
InChIKeyGJUALTCAPFOAKH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.59
Rot. Bonds2

About 4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole

4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole (PubChem CID 121465805) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Name4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole
PubChem CID121465805
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole
SMILESCC(C)c1c2c(c(C(C)C)c3c1=NCN=3)N=C=N2
InChIInChI=1S/C14H16N4/c1-7(2)9-11-13(17-5-15-11)10(8(3)4)14-12(9)16-6-18-14/h7-8H,5H2,1-4H3
InChIKeyGJUALTCAPFOAKH-UHFFFAOYSA-N
XLogP2.59
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethyl-4,9-di(propan-2-yl)-2H-imidazo[4,5-g]quinoxaline
CID 118530665
1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole
CID 118530666
4,7,9-trimethyl-6-propan-2-yl-2H-imidazo[4,5-g]quinoxaline
CID 118530692
4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole
CID 134451261
4,7-di(propan-2-yl)-6-selenonitroso-2H-benzimidazol-5-amine
CID 142286720
6-Methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium
CID 153129261
4,8-di(propan-2-yl)-3,6-dihydro-2H-imidazo[4,5-f]benzimidazol-2-ylium
CID 157691035
4,8-dimethyl-6H-imidazo[4,5-f]benzimidazole
CID 161789085
3-N,4-N-dimethyl-2,5-di(propan-2-yl)-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1,5,7,8-tetraene-3,4-diimine
CID 169967570

Frequently Asked Questions

What is the IUPAC name of 4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole?
The IUPAC name of 4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole (CID 121465805) is 4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole.
What is the SMILES notation for 4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole?
The canonical SMILES for 4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole is CC(C)c1c2c(c(C(C)C)c3c1=NCN=3)N=C=N2.
What is the InChIKey of 4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole?
The InChIKey is GJUALTCAPFOAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-7(2)9-11-13(17-5-15-11)10(8(3)4)14-12(9)16-6-18-14/h7-8H,5H2,1-4H3.
What are the key properties of 4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole?
4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole has a molecular weight of 240.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole is sourced from PubChem (CID 121465805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).