cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole

C22H32N2 — CID 161395735

IUPACcyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole
SMILESC1CCC1.CC(C)N1c2cc3ccccc3cc2N(C(C)C)C1C
InChIInChI=1S/C18H24N2.C4H8/c1-12(2)19-14(5)20(13(3)4)18-11-16-9-7-6-8-15(16)10-17(18)19;1-2-4-3-1/h6-14H,1-5H3;1-4H2
InChIKeyVTONLIGHRBDCQC-UHFFFAOYSA-N
MW324.51 g/mol
LogP6.19
Rot. Bonds2

About cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole

cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole (PubChem CID 161395735) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole.

Molecular Properties

Compound Namecyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole
PubChem CID161395735
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Namecyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole
SMILESC1CCC1.CC(C)N1c2cc3ccccc3cc2N(C(C)C)C1C
InChIInChI=1S/C18H24N2.C4H8/c1-12(2)19-14(5)20(13(3)4)18-11-16-9-7-6-8-15(16)10-17(18)19;1-2-4-3-1/h6-14H,1-5H3;1-4H2
InChIKeyVTONLIGHRBDCQC-UHFFFAOYSA-N
XLogP6.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole
CID 167159816
3-methyl-10-propan-2-yl-2,10-diazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),11,13,15,17-pentaene
CID 144791986
1,2-dimethyl-3-propan-2-yl-2H-benzimidazole
CID 160589142
(2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole
CID 176645790
anthracene;2-methylpropane
CID 142471530
anthracene;2-methyloxirane
CID 174666283
3-naphthalen-2-yl-1-propan-2-ylpyrrolidine
CID 70971657
8-fluoro-3-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 115095572
1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole
CID 140841858
N-(1-naphthalen-2-ylethyl)cyclohexanamine
CID 43080679
1-cyclohexyl-2-propan-2-ylisoindole
CID 58787443
2,17,28-trimethyl-2,28-di(propan-2-yl)-17,39-diaza-2,28-diphosphoniaundecacyclo[38.12.0.03,16.05,14.07,12.018,27.020,25.029,38.031,36.042,51.044,49]dopentaconta-1(52),3,5,7,9,11,13,15,18,20,22,24,26,29,31,33,35,37,40,42,44,46,48,50-tetracosaene
CID 118136623

Frequently Asked Questions

What is the IUPAC name of cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole?
The IUPAC name of cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole (CID 161395735) is cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole.
What is the SMILES notation for cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole?
The canonical SMILES for cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole is C1CCC1.CC(C)N1c2cc3ccccc3cc2N(C(C)C)C1C.
What is the InChIKey of cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole?
The InChIKey is VTONLIGHRBDCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2.C4H8/c1-12(2)19-14(5)20(13(3)4)18-11-16-9-7-6-8-15(16)10-17(18)19;1-2-4-3-1/h6-14H,1-5H3;1-4H2.
What are the key properties of cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole?
cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole has a molecular weight of 324.51 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole is sourced from PubChem (CID 161395735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).