N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide

C22H25N3O2 — CID 49168875

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CCC2)c1
InChIInChI=1S/C22H25N3O2/c1-14-10-15(2)12-16(11-14)22(8-5-9-22)20(26)23-17-6-7-18-19(13-17)25(4)21(27)24(18)3/h6-7,10-13H,5,8-9H2,1-4H3,(H,23,26)
InChIKeyHUTKJETZESKJBA-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.55
Rot. Bonds3

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide (PubChem CID 49168875) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide
PubChem CID49168875
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CCC2)c1
InChIInChI=1S/C22H25N3O2/c1-14-10-15(2)12-16(11-14)22(8-5-9-22)20(26)23-17-6-7-18-19(13-17)25(4)21(27)24(18)3/h6-7,10-13H,5,8-9H2,1-4H3,(H,23,26)
InChIKeyHUTKJETZESKJBA-UHFFFAOYSA-N
XLogP3.55
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide
CID 71882904
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide
CID 110772303
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110778944
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-ethylphenyl)propanamide
CID 49170000
(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
CID 119309194
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 38099080
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
CID 110204713
2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide
CID 139013882
1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542569
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975675
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 98729953

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide (CID 49168875) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide is Cc1cc(C)cc(C2(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CCC2)c1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide?
The InChIKey is HUTKJETZESKJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-10-15(2)12-16(11-14)22(8-5-9-22)20(26)23-17-6-7-18-19(13-17)25(4)21(27)24(18)3/h6-7,10-13H,5,8-9H2,1-4H3,(H,23,26).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 49168875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).