3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride

C11H14ClN3O2 — CID 18789715

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(OCC2=NCCN2)c1
InChIInChI=1S/C11H13N3O2.ClH/c12-11(15)8-2-1-3-9(6-8)16-7-10-13-4-5-14-10;/h1-3,6H,4-5,7H2,(H2,12,15)(H,13,14);1H
InChIKeyYHMUZCIYVQRESR-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.59
Rot. Bonds4

About 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride

3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride (PubChem CID 18789715) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride
PubChem CID18789715
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(OCC2=NCCN2)c1
InChIInChI=1S/C11H13N3O2.ClH/c12-11(15)8-2-1-3-9(6-8)16-7-10-13-4-5-14-10;/h1-3,6H,4-5,7H2,(H2,12,15)(H,13,14);1H
InChIKeyYHMUZCIYVQRESR-UHFFFAOYSA-N
XLogP0.59
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride
CID 18789650
N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide
CID 18789706
3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide
CID 67595359
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride
CID 159061331
3-[(4-nitrophenyl)methoxy]benzamide
CID 18354598
3-propoxybenzamide
CID 22311435
3-(2-phenylethoxy)benzamide
CID 17135006
3-[(2,3,6-trifluorophenyl)methoxy]benzamide
CID 69123710
2-[2-(3-tert-butylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 95457735

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride (CID 18789715) is 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride is Cl.NC(=O)c1cccc(OCC2=NCCN2)c1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride?
The InChIKey is YHMUZCIYVQRESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.ClH/c12-11(15)8-2-1-3-9(6-8)16-7-10-13-4-5-14-10;/h1-3,6H,4-5,7H2,(H2,12,15)(H,13,14);1H.
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride?
3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride has a molecular weight of 255.71 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride is sourced from PubChem (CID 18789715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).