2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide

C22H24FN3O2 — CID 170036391

IUPAC2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2nc(-c3cc(C)c(C)c(C)c3F)n(C3(C)COC3)c2c1
InChIInChI=1S/C22H24FN3O2/c1-12-8-16(19(23)14(3)13(12)2)20-25-17-7-6-15(21(27)24-5)9-18(17)26(20)22(4)10-28-11-22/h6-9H,10-11H2,1-5H3,(H,24,27)
InChIKeyXZNBHCMNCRHZNU-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.87
Rot. Bonds3

About 2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide

2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide (PubChem CID 170036391) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide
PubChem CID170036391
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2nc(-c3cc(C)c(C)c(C)c3F)n(C3(C)COC3)c2c1
InChIInChI=1S/C22H24FN3O2/c1-12-8-16(19(23)14(3)13(12)2)20-25-17-7-6-15(21(27)24-5)9-18(17)26(20)22(4)10-28-11-22/h6-9H,10-11H2,1-5H3,(H,24,27)
InChIKeyXZNBHCMNCRHZNU-UHFFFAOYSA-N
XLogP3.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-fluoro-5-methoxy-3,4-bis(phenylmethoxy)phenyl]-3-(3-methyloxetan-3-yl)benzimidazole-5-carbohydrazide
CID 162531163
2-(2-fluoro-3,4-dihydroxy-5-methoxyphenyl)-3-(3-methyloxetan-3-yl)-N-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxamide
CID 162530932
2-[2-fluoro-5-methoxy-3,4-bis(phenylmethoxy)phenyl]-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxylic acid
CID 162531035
4-[5-(ethylamino)-1-(3-methyloxetan-3-yl)benzimidazol-2-yl]-3-fluoro-6-methylbenzene-1,2-diol
CID 170036486
3-(difluoromethoxy)-6-methyl-4-[1-(3-methyloxetan-3-yl)benzimidazol-2-yl]benzene-1,2-diol
CID 170036420
4-[5-(benzylamino)-1-(3-methyloxetan-3-yl)benzimidazol-2-yl]-3-fluoro-6-methylbenzene-1,2-diol
CID 170036476
2-(2-bromo-4,5-dimethyl-3-phenylmethoxyphenyl)-1-(3-methyloxetan-3-yl)benzimidazole
CID 170036417
4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide
CID 63356955
3-fluoro-N,4,5-trimethylbenzamide
CID 142998846
3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(4-fluorophenyl)phenyl]-N-methylbenzimidazole-5-carboxamide
CID 154983688
N-[2-(3-aminooxetan-3-yl)acetyl]-4-fluoro-3-methylbenzamide
CID 112533563
3-fluoro-4-formyl-N-methylbenzamide
CID 131572088

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide (CID 170036391) is 2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide is CNC(=O)c1ccc2nc(-c3cc(C)c(C)c(C)c3F)n(C3(C)COC3)c2c1.
What is the InChIKey of 2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide?
The InChIKey is XZNBHCMNCRHZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-12-8-16(19(23)14(3)13(12)2)20-25-17-7-6-15(21(27)24-5)9-18(17)26(20)22(4)10-28-11-22/h6-9H,10-11H2,1-5H3,(H,24,27).
What are the key properties of 2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide?
2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3,4,5-trimethylphenyl)-N-methyl-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 170036391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).