(2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide

C17H21F2N3O2 — CID 94815576

IUPAC(2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESCC(C)[C@H](C(=O)NC[C@@H]1CCCO1)n1cnc2cc(F)c(F)cc21
InChIInChI=1S/C17H21F2N3O2/c1-10(2)16(17(23)20-8-11-4-3-5-24-11)22-9-21-14-6-12(18)13(19)7-15(14)22/h6-7,9-11,16H,3-5,8H2,1-2H3,(H,20,23)/t11-,16+/m0/s1
InChIKeyQBRSMFIUGRQNGB-MEDUHNTESA-N
MW337.37 g/mol
LogP2.81
Rot. Bonds5

About (2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide

(2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide (PubChem CID 94815576) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is (2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide
PubChem CID94815576
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name(2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESCC(C)[C@H](C(=O)NC[C@@H]1CCCO1)n1cnc2cc(F)c(F)cc21
InChIInChI=1S/C17H21F2N3O2/c1-10(2)16(17(23)20-8-11-4-3-5-24-11)22-9-21-14-6-12(18)13(19)7-15(14)22/h6-7,9-11,16H,3-5,8H2,1-2H3,(H,20,23)/t11-,16+/m0/s1
InChIKeyQBRSMFIUGRQNGB-MEDUHNTESA-N
XLogP2.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide with MolForge

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Related Compounds

3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 128592950
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 19532088
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
4,5-difluoro-2-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 62866631
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 19533299
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
2,6-difluoro-N-[(2R)-3-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
CID 34747399
2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
CID 34747404
2-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 122135677

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of (2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide (CID 94815576) is (2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide.
What is the SMILES notation for (2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for (2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide is CC(C)[C@H](C(=O)NC[C@@H]1CCCO1)n1cnc2cc(F)c(F)cc21.
What is the InChIKey of (2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The InChIKey is QBRSMFIUGRQNGB-MEDUHNTESA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-10(2)16(17(23)20-8-11-4-3-5-24-11)22-9-21-14-6-12(18)13(19)7-15(14)22/h6-7,9-11,16H,3-5,8H2,1-2H3,(H,20,23)/t11-,16+/m0/s1.
What are the key properties of (2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
(2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide has a molecular weight of 337.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 94815576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).