4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide

C20H20N4O2 — CID 94159344

IUPAC4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
SMILESC[C@H](Cn1ccnc1)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20N4O2/c1-15(13-24-12-11-21-14-24)22-19(25)17-7-9-18(10-8-17)23-20(26)16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeyWECREMUGRCMOJO-OAHLLOKOSA-N
MW348.41 g/mol
LogP2.95
Rot. Bonds6

About 4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide

4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide (PubChem CID 94159344) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
PubChem CID94159344
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
SMILESC[C@H](Cn1ccnc1)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20N4O2/c1-15(13-24-12-11-21-14-24)22-19(25)17-7-9-18(10-8-17)23-20(26)16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeyWECREMUGRCMOJO-OAHLLOKOSA-N
XLogP2.95
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
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2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
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3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide
CID 104627718
N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
CID 155511960
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
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4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylbenzamide
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N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63213990

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide?
The IUPAC name of 4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide (CID 94159344) is 4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide.
What is the SMILES notation for 4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide?
The canonical SMILES for 4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide is C[C@H](Cn1ccnc1)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide?
The InChIKey is WECREMUGRCMOJO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15(13-24-12-11-21-14-24)22-19(25)17-7-9-18(10-8-17)23-20(26)16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,22,25)(H,23,26)/t15-/m1/s1.
What are the key properties of 4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide?
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide is sourced from PubChem (CID 94159344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).