2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide

C17H16FN3O — CID 1474151

IUPAC2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
SMILESCc1ccc2nc([C@@H](C)NC(=O)c3ccccc3F)[nH]c2c1
InChIInChI=1S/C17H16FN3O/c1-10-7-8-14-15(9-10)21-16(20-14)11(2)19-17(22)12-5-3-4-6-13(12)18/h3-9,11H,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChIKeyUQVBQPPVDIMUCF-LLVKDONJSA-N
MW297.33 g/mol
LogP3.50
Rot. Bonds3

About 2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide

2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide (PubChem CID 1474151) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
PubChem CID1474151
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
SMILESCc1ccc2nc([C@@H](C)NC(=O)c3ccccc3F)[nH]c2c1
InChIInChI=1S/C17H16FN3O/c1-10-7-8-14-15(9-10)21-16(20-14)11(2)19-17(22)12-5-3-4-6-13(12)18/h3-9,11H,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChIKeyUQVBQPPVDIMUCF-LLVKDONJSA-N
XLogP3.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474183
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890007
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)-2-fluorobenzamide
CID 75387783
4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
CID 124749354
tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate
CID 69315401
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
2-nitro-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]benzamide
CID 43890079

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide (CID 1474151) is 2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide is Cc1ccc2nc([C@@H](C)NC(=O)c3ccccc3F)[nH]c2c1.
What is the InChIKey of 2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide?
The InChIKey is UQVBQPPVDIMUCF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-10-7-8-14-15(9-10)21-16(20-14)11(2)19-17(22)12-5-3-4-6-13(12)18/h3-9,11H,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1.
What are the key properties of 2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide?
2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide has a molecular weight of 297.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 1474151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).