N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide

C16H14FN3O — CID 18116392

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
SMILESC[C@H](NC(=O)c1cccc(F)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H14FN3O/c1-10(15-19-13-7-2-3-8-14(13)20-15)18-16(21)11-5-4-6-12(17)9-11/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeyJXWRUGFKYBKTRU-JTQLQIEISA-N
MW283.31 g/mol
LogP3.19
Rot. Bonds3

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide (PubChem CID 18116392) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
PubChem CID18116392
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
SMILESC[C@H](NC(=O)c1cccc(F)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H14FN3O/c1-10(15-19-13-7-2-3-8-14(13)20-15)18-16(21)11-5-4-6-12(17)9-11/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeyJXWRUGFKYBKTRU-JTQLQIEISA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77082172
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide
CID 60509786
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloro-6-fluorobenzamide
CID 60592461
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide
CID 60592481
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide (CID 18116392) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide is C[C@H](NC(=O)c1cccc(F)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide?
The InChIKey is JXWRUGFKYBKTRU-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10(15-19-13-7-2-3-8-14(13)20-15)18-16(21)11-5-4-6-12(17)9-11/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide has a molecular weight of 283.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 18116392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).