4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide

C18H15F4N3O2 — CID 137453696

IUPAC4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc2ncn(C)c2c1CNC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F4N3O2/c1-25-9-24-14-5-6-15(27-2)11(16(14)25)8-23-17(26)10-3-4-13(19)12(7-10)18(20,21)22/h3-7,9H,8H2,1-2H3,(H,23,26)
InChIKeyVGTMDYHJNKBRBX-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.67
Rot. Bonds4

About 4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide

4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 137453696) has the molecular formula C18H15F4N3O2 and a molecular weight of 381.33 g/mol. Its IUPAC name is 4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID137453696
Molecular FormulaC18H15F4N3O2
Molecular Weight381.33 g/mol
Exact Mass381.11
IUPAC Name4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc2ncn(C)c2c1CNC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F4N3O2/c1-25-9-24-14-5-6-15(27-2)11(16(14)25)8-23-17(26)10-3-4-13(19)12(7-10)18(20,21)22/h3-7,9H,8H2,1-2H3,(H,23,26)
InChIKeyVGTMDYHJNKBRBX-UHFFFAOYSA-N
XLogP3.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453498
3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide
CID 137453632
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4,5-dimethylbenzamide
CID 137453630
N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 137453592
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
CID 146590734
5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide
CID 137453507
4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 103721975
5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453613
N-[(2,6-difluorophenyl)methyl]-3-methoxy-2-methylindazole-6-carboxamide
CID 90609224
4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide
CID 137453588
methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate
CID 60596590

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide (CID 137453696) is 4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide is COc1ccc2ncn(C)c2c1CNC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VGTMDYHJNKBRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O2/c1-25-9-24-14-5-6-15(27-2)11(16(14)25)8-23-17(26)10-3-4-13(19)12(7-10)18(20,21)22/h3-7,9H,8H2,1-2H3,(H,23,26).
What are the key properties of 4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide?
4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 381.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 137453696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).