2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide

C16H14FN3O — CID 17007726

IUPAC2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
SMILESCn1c(CNC(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C16H14FN3O/c1-20-14-9-5-4-8-13(14)19-15(20)10-18-16(21)11-6-2-3-7-12(11)17/h2-9H,10H2,1H3,(H,18,21)
InChIKeyMZNHXXPVDLPCLS-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.64
Rot. Bonds3

About 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide

2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 17007726) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
PubChem CID17007726
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
SMILESCn1c(CNC(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C16H14FN3O/c1-20-14-9-5-4-8-13(14)19-15(20)10-18-16(21)11-6-2-3-7-12(11)17/h2-9H,10H2,1H3,(H,18,21)
InChIKeyMZNHXXPVDLPCLS-UHFFFAOYSA-N
XLogP2.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
2-fluoro-N-[(1-hexadecylbenzimidazol-2-yl)methyl]benzamide
CID 17007744
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007755
N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007857
2-fluoro-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007775
2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007782
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007754
2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007837
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
2-fluoro-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007822
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007826
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide (CID 17007726) is 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide is Cn1c(CNC(=O)c2ccccc2F)nc2ccccc21.
What is the InChIKey of 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is MZNHXXPVDLPCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20-14-9-5-4-8-13(14)19-15(20)10-18-16(21)11-6-2-3-7-12(11)17/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 283.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 17007726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).