4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C15H17N3O2 — CID 31532996

IUPAC4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H17N3O2/c19-15(17-10-14-2-1-9-20-14)12-3-5-13(6-4-12)18-8-7-16-11-18/h3-8,11,14H,1-2,9-10H2,(H,17,19)/t14-/m0/s1
InChIKeyGFDYNZCIXZKPEP-AWEZNQCLSA-N
MW271.32 g/mol
LogP1.78
Rot. Bonds4

About 4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 31532996) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID31532996
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H17N3O2/c19-15(17-10-14-2-1-9-20-14)12-3-5-13(6-4-12)18-8-7-16-11-18/h3-8,11,14H,1-2,9-10H2,(H,17,19)/t14-/m0/s1
InChIKeyGFDYNZCIXZKPEP-AWEZNQCLSA-N
XLogP1.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 31532997
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
4-(imidazol-1-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93491347
N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide
CID 98854197
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18160252
N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43220337
1-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-(oxolan-2-ylmethyl)thiourea
CID 18231112
1-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 29227247
4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119512079
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 31532996) is 4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is GFDYNZCIXZKPEP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(17-10-14-2-1-9-20-14)12-3-5-13(6-4-12)18-8-7-16-11-18/h3-8,11,14H,1-2,9-10H2,(H,17,19)/t14-/m0/s1.
What are the key properties of 4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 31532996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).