N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide

C17H16FN3O — CID 110785961

IUPACN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide
SMILESCc1nc2cc(CNC(=O)c3cccc(F)c3)ccc2n1C
InChIInChI=1S/C17H16FN3O/c1-11-20-15-8-12(6-7-16(15)21(11)2)10-19-17(22)13-4-3-5-14(18)9-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyTYZSLBZCWDHJFS-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.95
Rot. Bonds3

About N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide

N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide (PubChem CID 110785961) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide
PubChem CID110785961
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide
SMILESCc1nc2cc(CNC(=O)c3cccc(F)c3)ccc2n1C
InChIInChI=1S/C17H16FN3O/c1-11-20-15-8-12(6-7-16(15)21(11)2)10-19-17(22)13-4-3-5-14(18)9-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyTYZSLBZCWDHJFS-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide
CID 110785967
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
CID 110785953
N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110791794
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2-oxoacetate
CID 115142414
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 90652658
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 110794762
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110786170

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide (CID 110785961) is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide is Cc1nc2cc(CNC(=O)c3cccc(F)c3)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide?
The InChIKey is TYZSLBZCWDHJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-11-20-15-8-12(6-7-16(15)21(11)2)10-19-17(22)13-4-3-5-14(18)9-13/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide?
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide has a molecular weight of 297.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 110785961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).