3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide

C18H23N3O2 — CID 99819921

IUPAC3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide
SMILESCC1(C)C[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C(C)(C)O1
InChIInChI=1S/C18H23N3O2/c1-17(2)11-15(18(3,4)23-17)20-16(22)13-6-5-7-14(10-13)21-9-8-19-12-21/h5-10,12,15H,11H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyHVNYJPWDMPLQOY-HNNXBMFYSA-N
MW313.40 g/mol
LogP2.95
Rot. Bonds3

About 3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide

3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide (PubChem CID 99819921) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide
PubChem CID99819921
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide
SMILESCC1(C)C[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C(C)(C)O1
InChIInChI=1S/C18H23N3O2/c1-17(2)11-15(18(3,4)23-17)20-16(22)13-6-5-7-14(10-13)21-9-8-19-12-21/h5-10,12,15H,11H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyHVNYJPWDMPLQOY-HNNXBMFYSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-imidazol-1-ylpropyl)-4-(propanoylamino)benzamide
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4-Ethyl-5-(3-imidazol-1-ylbenzoyl)-1,3-dihydroimidazol-2-one
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3-acetamido-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
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(E)-N-(3-((3-(1H-imidazol-1-yl)propyl)amino)-1-(4-(dimethylamino)phenyl)-3-oxoprop-1-en-2-yl)benzamide
CID 5786641
N-[2-(4-Dimethylamino-phenyl)-1-(3-imidazol-1-yl-propylcarbamoyl)-vinyl]-benzamide
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N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride
CID 21275356
N-[2-[(Phenylmethyl)amino]ethyl]-4-(1H-imidazol-1-yl)-benzamide hydrochloride
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CID 21275412

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide?
The IUPAC name of 3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide (CID 99819921) is 3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide.
What is the SMILES notation for 3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide?
The canonical SMILES for 3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide is CC1(C)C[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C(C)(C)O1.
What is the InChIKey of 3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide?
The InChIKey is HVNYJPWDMPLQOY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-17(2)11-15(18(3,4)23-17)20-16(22)13-6-5-7-14(10-13)21-9-8-19-12-21/h5-10,12,15H,11H2,1-4H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide?
3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide is sourced from PubChem (CID 99819921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).