2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide

C18H18N4O2 — CID 84586746

IUPAC2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide
SMILESCn1ccnc1CNc1cccc(Oc2ccccc2C(N)=O)c1
InChIInChI=1S/C18H18N4O2/c1-22-10-9-20-17(22)12-21-13-5-4-6-14(11-13)24-16-8-3-2-7-15(16)18(19)23/h2-11,21H,12H2,1H3,(H2,19,23)
InChIKeyJUKLBGUDPYUPRE-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.92
Rot. Bonds6

About 2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide

2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide (PubChem CID 84586746) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide.

Molecular Properties

Compound Name2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide
PubChem CID84586746
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide
SMILESCn1ccnc1CNc1cccc(Oc2ccccc2C(N)=O)c1
InChIInChI=1S/C18H18N4O2/c1-22-10-9-20-17(22)12-21-13-5-4-6-14(11-13)24-16-8-3-2-7-15(16)18(19)23/h2-11,21H,12H2,1H3,(H2,19,23)
InChIKeyJUKLBGUDPYUPRE-UHFFFAOYSA-N
XLogP2.92
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide
CID 62355697
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
benzyl 4-[(1-methylimidazol-2-yl)methylamino]-2-phenylmethoxybenzoate
CID 129012744
N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 62357401
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
2-(3-methylphenoxy)benzamide
CID 70968841
N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 55064678
3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957381
3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62358267
N-[(1-methylimidazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 62357263
2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63678191
N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
CID 63295796

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide?
The IUPAC name of 2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide (CID 84586746) is 2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide.
What is the SMILES notation for 2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide?
The canonical SMILES for 2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide is Cn1ccnc1CNc1cccc(Oc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide?
The InChIKey is JUKLBGUDPYUPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-22-10-9-20-17(22)12-21-13-5-4-6-14(11-13)24-16-8-3-2-7-15(16)18(19)23/h2-11,21H,12H2,1H3,(H2,19,23).
What are the key properties of 2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide?
2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide is sourced from PubChem (CID 84586746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).