(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide

C20H21N3O — CID 95284747

IUPAC(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
SMILESC[C@@H](C(=O)N(C)Cc1ccccc1-c1ccccc1)n1ccnc1
InChIInChI=1S/C20H21N3O/c1-16(23-13-12-21-15-23)20(24)22(2)14-18-10-6-7-11-19(18)17-8-4-3-5-9-17/h3-13,15-16H,14H2,1-2H3/t16-/m0/s1
InChIKeyONIFCTRDBRFBAD-INIZCTEOSA-N
MW319.41 g/mol
LogP3.77
Rot. Bonds5

About (2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide

(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide (PubChem CID 95284747) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
PubChem CID95284747
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
SMILESC[C@@H](C(=O)N(C)Cc1ccccc1-c1ccccc1)n1ccnc1
InChIInChI=1S/C20H21N3O/c1-16(23-13-12-21-15-23)20(24)22(2)14-18-10-6-7-11-19(18)17-8-4-3-5-9-17/h3-13,15-16H,14H2,1-2H3/t16-/m0/s1
InChIKeyONIFCTRDBRFBAD-INIZCTEOSA-N
XLogP3.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide (CID 95284747) is (2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide is C[C@@H](C(=O)N(C)Cc1ccccc1-c1ccccc1)n1ccnc1.
What is the InChIKey of (2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide?
The InChIKey is ONIFCTRDBRFBAD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N3O/c1-16(23-13-12-21-15-23)20(24)22(2)14-18-10-6-7-11-19(18)17-8-4-3-5-9-17/h3-13,15-16H,14H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide?
(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide has a molecular weight of 319.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide is sourced from PubChem (CID 95284747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).