(2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide

C21H21F2N3O2 — CID 95121936

IUPAC(2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide
SMILESCC[C@@H](C(=O)NC)n1cnc(-c2ccccc2)c1-c1ccccc1OC(F)F
InChIInChI=1S/C21H21F2N3O2/c1-3-16(20(27)24-2)26-13-25-18(14-9-5-4-6-10-14)19(26)15-11-7-8-12-17(15)28-21(22)23/h4-13,16,21H,3H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyCZNCGMCFTHSUSC-INIZCTEOSA-N
MW385.41 g/mol
LogP4.52
Rot. Bonds7

About (2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide

(2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide (PubChem CID 95121936) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is (2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide
PubChem CID95121936
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name(2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide
SMILESCC[C@@H](C(=O)NC)n1cnc(-c2ccccc2)c1-c1ccccc1OC(F)F
InChIInChI=1S/C21H21F2N3O2/c1-3-16(20(27)24-2)26-13-25-18(14-9-5-4-6-10-14)19(26)15-11-7-8-12-17(15)28-21(22)23/h4-13,16,21H,3H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyCZNCGMCFTHSUSC-INIZCTEOSA-N
XLogP4.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-4-carboxylic acid
CID 61264924
2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid
CID 70737056
N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide
CID 95130613
2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid
CID 70709599
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propanoic acid
CID 61011180
3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine
CID 83203364
1-[2-[3-[2-(difluoromethoxy)phenyl]-6-oxopyridazin-1-yl]ethyl]-3-(2-ethylphenyl)urea
CID 177184239
methyl 4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]butanoate
CID 50953356
4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid
CID 175455350
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352797
3-[2-[2-(difluoromethoxy)phenyl]ethylcarbamoylamino]propanoic acid
CID 122011386
N-[3-[2-(difluoromethoxy)phenyl]phenyl]-5-phenylpyridine-3-carboxamide
CID 141273529

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide?
The IUPAC name of (2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide (CID 95121936) is (2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide.
What is the SMILES notation for (2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide?
The canonical SMILES for (2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide is CC[C@@H](C(=O)NC)n1cnc(-c2ccccc2)c1-c1ccccc1OC(F)F.
What is the InChIKey of (2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide?
The InChIKey is CZNCGMCFTHSUSC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-3-16(20(27)24-2)26-13-25-18(14-9-5-4-6-10-14)19(26)15-11-7-8-12-17(15)28-21(22)23/h4-13,16,21H,3H2,1-2H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide?
(2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide has a molecular weight of 385.41 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide is sourced from PubChem (CID 95121936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).