N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide

C19H19F2N3O — CID 51960123

IUPACN-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H19F2N3O/c1-3-11(2)17(18-22-15-6-4-5-7-16(15)23-18)24-19(25)12-8-13(20)10-14(21)9-12/h4-11,17H,3H2,1-2H3,(H,22,23)(H,24,25)/t11-,17-/m0/s1
InChIKeyCOVQRQYKVLFGSW-GTNSWQLSSA-N
MW343.38 g/mol
LogP4.36
Rot. Bonds5

About N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide

N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide (PubChem CID 51960123) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide
PubChem CID51960123
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H19F2N3O/c1-3-11(2)17(18-22-15-6-4-5-7-16(15)23-18)24-19(25)12-8-13(20)10-14(21)9-12/h4-11,17H,3H2,1-2H3,(H,22,23)(H,24,25)/t11-,17-/m0/s1
InChIKeyCOVQRQYKVLFGSW-GTNSWQLSSA-N
XLogP4.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide
CID 55812514
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-5-fluoro-2-methoxybenzamide
CID 55876309
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 94613930
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-ethoxy-4-methoxybenzamide
CID 55814527
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(methylsulfonylmethyl)benzamide
CID 55812354
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,3,3-trifluoropropanamide
CID 95155727
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(propylsulfonylamino)benzamide
CID 51966007
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55863434
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2,3-dichlorobenzamide
CID 55862922
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide
CID 55862665
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55814528

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide?
The IUPAC name of N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide (CID 51960123) is N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide is CC[C@H](C)[C@H](NC(=O)c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide?
The InChIKey is COVQRQYKVLFGSW-GTNSWQLSSA-N. The full InChI is InChI=1S/C19H19F2N3O/c1-3-11(2)17(18-22-15-6-4-5-7-16(15)23-18)24-19(25)12-8-13(20)10-14(21)9-12/h4-11,17H,3H2,1-2H3,(H,22,23)(H,24,25)/t11-,17-/m0/s1.
What are the key properties of N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide?
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide has a molecular weight of 343.38 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide is sourced from PubChem (CID 51960123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).