3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide

C18H14FN5O — CID 166387467

IUPAC3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide
SMILESCn1cnc2ccc(NC(=O)c3ccc(-n4ccnc4)c(F)c3)cc21
InChIInChI=1S/C18H14FN5O/c1-23-11-21-15-4-3-13(9-17(15)23)22-18(25)12-2-5-16(14(19)8-12)24-7-6-20-10-24/h2-11H,1H3,(H,22,25)
InChIKeyDEXKPJBFSNDJLV-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.15
Rot. Bonds3

About 3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide

3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide (PubChem CID 166387467) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide
PubChem CID166387467
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide
SMILESCn1cnc2ccc(NC(=O)c3ccc(-n4ccnc4)c(F)c3)cc21
InChIInChI=1S/C18H14FN5O/c1-23-11-21-15-4-3-13(9-17(15)23)22-18(25)12-2-5-16(14(19)8-12)24-7-6-20-10-24/h2-11H,1H3,(H,22,25)
InChIKeyDEXKPJBFSNDJLV-UHFFFAOYSA-N
XLogP3.15
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160
N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 47059878
N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469182
4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
CID 55856122
2-(3-fluoro-4-imidazol-1-ylphenyl)-2-oxoacetic acid
CID 117339835
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55956166
4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide
CID 20597281
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide
CID 55956042
3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide
CID 146094132
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 60535989
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide (CID 166387467) is 3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide is Cn1cnc2ccc(NC(=O)c3ccc(-n4ccnc4)c(F)c3)cc21.
What is the InChIKey of 3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide?
The InChIKey is DEXKPJBFSNDJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-23-11-21-15-4-3-13(9-17(15)23)22-18(25)12-2-5-16(14(19)8-12)24-7-6-20-10-24/h2-11H,1H3,(H,22,25).
What are the key properties of 3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide?
3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide has a molecular weight of 335.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide is sourced from PubChem (CID 166387467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).