4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide

C17H16FN3O — CID 751122

IUPAC4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C
InChIInChI=1S/C17H16FN3O/c1-11(19-17(22)12-7-9-13(18)10-8-12)16-20-14-5-3-4-6-15(14)21(16)2/h3-11H,1-2H3,(H,19,22)/t11-/m1/s1
InChIKeyMBBKJIIKJVWVQS-LLVKDONJSA-N
MW297.33 g/mol
LogP3.20
Rot. Bonds3

About 4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide

4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 751122) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID751122
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C
InChIInChI=1S/C17H16FN3O/c1-11(19-17(22)12-7-9-13(18)10-8-12)16-20-14-5-3-4-6-15(14)21(16)2/h3-11H,1-2H3,(H,19,22)/t11-/m1/s1
InChIKeyMBBKJIIKJVWVQS-LLVKDONJSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 751168
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide
CID 124577149
4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 751224
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 17010086
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
2,4-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 16967777
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide (CID 751122) is 4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C.
What is the InChIKey of 4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is MBBKJIIKJVWVQS-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-11(19-17(22)12-7-9-13(18)10-8-12)16-20-14-5-3-4-6-15(14)21(16)2/h3-11H,1-2H3,(H,19,22)/t11-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide?
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 297.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 751122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).