(2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide

C27H27N3O2 — CID 92772191

IUPAC(2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCc1cccc(-c2ncc(-c3cccc(OC)c3)[nH]2)c1)c1ccccc1
InChIInChI=1S/C27H27N3O2/c1-3-24(20-10-5-4-6-11-20)27(31)29-17-19-9-7-13-22(15-19)26-28-18-25(30-26)21-12-8-14-23(16-21)32-2/h4-16,18,24H,3,17H2,1-2H3,(H,28,30)(H,29,31)/t24-/m1/s1
InChIKeyNGQNOBORCZOSOK-XMMPIXPASA-N
MW425.53 g/mol
LogP5.56
Rot. Bonds8

About (2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide

(2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide (PubChem CID 92772191) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is (2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
PubChem CID92772191
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name(2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCc1cccc(-c2ncc(-c3cccc(OC)c3)[nH]2)c1)c1ccccc1
InChIInChI=1S/C27H27N3O2/c1-3-24(20-10-5-4-6-11-20)27(31)29-17-19-9-7-13-22(15-19)26-28-18-25(30-26)21-12-8-14-23(16-21)32-2/h4-16,18,24H,3,17H2,1-2H3,(H,28,30)(H,29,31)/t24-/m1/s1
InChIKeyNGQNOBORCZOSOK-XMMPIXPASA-N
XLogP5.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide with MolForge

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Related Compounds

(2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
CID 92773285
N-[(3-aminophenyl)methyl]-2-phenylbutanamide
CID 62499796
5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
CID 46089767
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111251420
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide
CID 46089440
N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide
CID 46592660
2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
CID 46089582
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 57390575
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 95977617
N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43001675

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide (CID 92772191) is (2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide is CC[C@@H](C(=O)NCc1cccc(-c2ncc(-c3cccc(OC)c3)[nH]2)c1)c1ccccc1.
What is the InChIKey of (2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide?
The InChIKey is NGQNOBORCZOSOK-XMMPIXPASA-N. The full InChI is InChI=1S/C27H27N3O2/c1-3-24(20-10-5-4-6-11-20)27(31)29-17-19-9-7-13-22(15-19)26-28-18-25(30-26)21-12-8-14-23(16-21)32-2/h4-16,18,24H,3,17H2,1-2H3,(H,28,30)(H,29,31)/t24-/m1/s1.
What are the key properties of (2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide?
(2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide has a molecular weight of 425.53 g/mol, XLogP of 5.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 92772191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).