N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide

C22H25N3O2 — CID 95130613

IUPACN-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide
SMILESCC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H25N3O2/c1-4-20(14-27-3)25-15-23-21(17-8-6-5-7-9-17)22(25)18-10-12-19(13-11-18)24-16(2)26/h5-13,15,20H,4,14H2,1-3H3,(H,24,26)/t20-/m0/s1
InChIKeyBIBOFAFUKROPSP-FQEVSTJZSA-N
MW363.46 g/mol
LogP4.77
Rot. Bonds7

About N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide

N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide (PubChem CID 95130613) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide
PubChem CID95130613
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide
SMILESCC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H25N3O2/c1-4-20(14-27-3)25-15-23-21(17-8-6-5-7-9-17)22(25)18-10-12-19(13-11-18)24-16(2)26/h5-13,15,20H,4,14H2,1-3H3,(H,24,26)/t20-/m0/s1
InChIKeyBIBOFAFUKROPSP-FQEVSTJZSA-N
XLogP4.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 95149257
N-[4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]phenyl]acetamide
CID 95135000
N-(4-phenylphenyl)acetamide
CID 19998
(2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide
CID 95121936
N-[4-(4-phenylquinazolin-2-yl)phenyl]acetamide
CID 4523406
N-(3-benzyl-5-phenylimidazol-4-yl)acetamide
CID 166206532
4,5-diphenyl-1-propylimidazole
CID 14950648
N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide
CID 155520772
3-methoxy-2-(4-phenylanilino)propanoic acid
CID 103230384
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073434
2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine
CID 95136939
N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide
CID 18552694

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide (CID 95130613) is N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide is CC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide?
The InChIKey is BIBOFAFUKROPSP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-20(14-27-3)25-15-23-21(17-8-6-5-7-9-17)22(25)18-10-12-19(13-11-18)24-16(2)26/h5-13,15,20H,4,14H2,1-3H3,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide?
N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 95130613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).