N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide

C16H19N3O3 — CID 111486071

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide
SMILESO=C(NCC1(O)CCOCC1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H19N3O3/c20-15(18-11-16(21)4-8-22-9-5-16)13-2-1-3-14(10-13)19-7-6-17-12-19/h1-3,6-7,10,12,21H,4-5,8-9,11H2,(H,18,20)
InChIKeyUPUYXCAOTZZHSA-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.14
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide

N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide (PubChem CID 111486071) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide
PubChem CID111486071
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide
SMILESO=C(NCC1(O)CCOCC1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H19N3O3/c20-15(18-11-16(21)4-8-22-9-5-16)13-2-1-3-14(10-13)19-7-6-17-12-19/h1-3,6-7,10,12,21H,4-5,8-9,11H2,(H,18,20)
InChIKeyUPUYXCAOTZZHSA-UHFFFAOYSA-N
XLogP1.14
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide
CID 126769462
3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 154748801
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
CID 17404060
N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
CID 111425601
N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 79038757
N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 70725146
3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide
CID 99819921
N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 111428654
N-[(4-hydroxyoxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 79037313
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-pyrrol-1-ylbenzamide
CID 80716345
3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide
CID 155948039
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 79040021

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide (CID 111486071) is N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide is O=C(NCC1(O)CCOCC1)c1cccc(-n2ccnc2)c1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide?
The InChIKey is UPUYXCAOTZZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-15(18-11-16(21)4-8-22-9-5-16)13-2-1-3-14(10-13)19-7-6-17-12-19/h1-3,6-7,10,12,21H,4-5,8-9,11H2,(H,18,20).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide?
N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide has a molecular weight of 301.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide is sourced from PubChem (CID 111486071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).