1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one

C20H23FN2O — CID 56655807

IUPAC1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one
SMILESCc1ccc(F)c(-c2ccc3c(c2)n(C)c(=O)n3CC(C)(C)C)c1
InChIInChI=1S/C20H23FN2O/c1-13-6-8-16(21)15(10-13)14-7-9-17-18(11-14)22(5)19(24)23(17)12-20(2,3)4/h6-11H,12H2,1-5H3
InChIKeyWCWOYHOIGMSWMP-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.50
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one

1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one (PubChem CID 56655807) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one
PubChem CID56655807
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one
SMILESCc1ccc(F)c(-c2ccc3c(c2)n(C)c(=O)n3CC(C)(C)C)c1
InChIInChI=1S/C20H23FN2O/c1-13-6-8-16(21)15(10-13)14-7-9-17-18(11-14)22(5)19(24)23(17)12-20(2,3)4/h6-11H,12H2,1-5H3
InChIKeyWCWOYHOIGMSWMP-UHFFFAOYSA-N
XLogP4.50
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropyl)-5-(2-fluoro-4-pyridinyl)-3-methylbenzimidazol-2-one
CID 56655664
5-(5-chloro-2-fluoro-4-pyridinyl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one
CID 56655730
1-(2,2-dimethylpropyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylbenzimidazol-2-one
CID 66749111
1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one
CID 56655584
5-(3-chloroquinoxalin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one
CID 56655970
5-[3-amino-5-(2-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
CID 23581623
4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene
CID 58049386
5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one
CID 123918525
1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one
CID 66750020
2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde
CID 54912741
4-(2-fluoro-5-methylphenyl)-2-methylaniline
CID 61026096
1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262591

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one (CID 56655807) is 1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one is Cc1ccc(F)c(-c2ccc3c(c2)n(C)c(=O)n3CC(C)(C)C)c1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one?
The InChIKey is WCWOYHOIGMSWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-13-6-8-16(21)15(10-13)14-7-9-17-18(11-14)22(5)19(24)23(17)12-20(2,3)4/h6-11H,12H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one?
1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one has a molecular weight of 326.42 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one is sourced from PubChem (CID 56655807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).