(2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide

C28H29N3O3 — CID 92773285

IUPAC(2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)NCc1cccc(-c2ncc(-c3cc(OC)ccc3OC)[nH]2)c1)c1ccccc1
InChIInChI=1S/C28H29N3O3/c1-4-23(20-10-6-5-7-11-20)28(32)30-17-19-9-8-12-21(15-19)27-29-18-25(31-27)24-16-22(33-2)13-14-26(24)34-3/h5-16,18,23H,4,17H2,1-3H3,(H,29,31)(H,30,32)/t23-/m0/s1
InChIKeyJSINBWGGEOFSEE-QHCPKHFHSA-N
MW455.56 g/mol
LogP5.57
Rot. Bonds9

About (2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide

(2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide (PubChem CID 92773285) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is (2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
PubChem CID92773285
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name(2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)NCc1cccc(-c2ncc(-c3cc(OC)ccc3OC)[nH]2)c1)c1ccccc1
InChIInChI=1S/C28H29N3O3/c1-4-23(20-10-6-5-7-11-20)28(32)30-17-19-9-8-12-21(15-19)27-29-18-25(31-27)24-16-22(33-2)13-14-26(24)34-3/h5-16,18,23H,4,17H2,1-3H3,(H,29,31)(H,30,32)/t23-/m0/s1
InChIKeyJSINBWGGEOFSEE-QHCPKHFHSA-N
XLogP5.57
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide with MolForge

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Related Compounds

(2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
CID 92772191
N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide
CID 46089440
2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
CID 46089582
N-[(3-aminophenyl)methyl]-2-phenylbutanamide
CID 62499796
N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide
CID 46592660
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 72717719
5-(2-methoxy-4-phenylmethoxyphenyl)-2-phenyl-1H-imidazole;hydrochloride
CID 158418618
5-[2,4-dimethoxy-5-(2-phenyl-1H-imidazol-5-yl)phenyl]-2-phenyl-1H-imidazole;ethane
CID 144664687
(2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
CID 100689903
(2R)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylbutanamide
CID 7425580
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111251420
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
CID 4605558

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide (CID 92773285) is (2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide is CC[C@H](C(=O)NCc1cccc(-c2ncc(-c3cc(OC)ccc3OC)[nH]2)c1)c1ccccc1.
What is the InChIKey of (2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide?
The InChIKey is JSINBWGGEOFSEE-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-4-23(20-10-6-5-7-11-20)28(32)30-17-19-9-8-12-21(15-19)27-29-18-25(31-27)24-16-22(33-2)13-14-26(24)34-3/h5-16,18,23H,4,17H2,1-3H3,(H,29,31)(H,30,32)/t23-/m0/s1.
What are the key properties of (2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide?
(2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide has a molecular weight of 455.56 g/mol, XLogP of 5.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 92773285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).