N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide

C18H23N3O3 — CID 100644801

IUPACN-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide
SMILESCc1ccc(-n2ccnc2)c(C(=O)NC[C@H](CO)[C@@H]2CCOC2)c1
InChIInChI=1S/C18H23N3O3/c1-13-2-3-17(21-6-5-19-12-21)16(8-13)18(23)20-9-15(10-22)14-4-7-24-11-14/h2-3,5-6,8,12,14-15,22H,4,7,9-11H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyDIHUFOLOKBGIAJ-HUUCEWRRSA-N
MW329.40 g/mol
LogP1.56
Rot. Bonds6

About N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide

N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide (PubChem CID 100644801) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide
PubChem CID100644801
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide
SMILESCc1ccc(-n2ccnc2)c(C(=O)NC[C@H](CO)[C@@H]2CCOC2)c1
InChIInChI=1S/C18H23N3O3/c1-13-2-3-17(21-6-5-19-12-21)16(8-13)18(23)20-9-15(10-22)14-4-7-24-11-14/h2-3,5-6,8,12,14-15,22H,4,7,9-11H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyDIHUFOLOKBGIAJ-HUUCEWRRSA-N
XLogP1.56
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide
CID 100644638
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide
CID 111477581
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide
CID 100644712
2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide
CID 100644821
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide
CID 111566196
tert-butyl N-[1-[(2-imidazol-1-yl-5-methylbenzoyl)amino]-3-methylbutan-2-yl]carbamate
CID 86956646
2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide
CID 96521731
N-[3-hydroxy-2-(oxolan-3-yl)propyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 119037260
3-(4-bromothiophen-2-yl)-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]propanamide
CID 100644933
N-(1-cyclopropylethyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 45352289
N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 111912006
N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 170610855

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide?
The IUPAC name of N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide (CID 100644801) is N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide.
What is the SMILES notation for N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide?
The canonical SMILES for N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide is Cc1ccc(-n2ccnc2)c(C(=O)NC[C@H](CO)[C@@H]2CCOC2)c1.
What is the InChIKey of N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide?
The InChIKey is DIHUFOLOKBGIAJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-2-3-17(21-6-5-19-12-21)16(8-13)18(23)20-9-15(10-22)14-4-7-24-11-14/h2-3,5-6,8,12,14-15,22H,4,7,9-11H2,1H3,(H,20,23)/t14-,15-/m1/s1.
What are the key properties of N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide?
N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide has a molecular weight of 329.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide is sourced from PubChem (CID 100644801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).