4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide

C25H22N4O3 — CID 56545477

IUPAC4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide
SMILESCn1ccnc1C(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccccc1
InChIInChI=1S/C25H22N4O3/c1-29-16-15-27-24(29)22(17-5-3-2-4-6-17)28-25(31)19-9-13-21(14-10-19)32-20-11-7-18(8-12-20)23(26)30/h2-16,22H,1H3,(H2,26,30)(H,28,31)
InChIKeyGVAAHQUVIGNOPI-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.83
Rot. Bonds7

About 4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide

4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide (PubChem CID 56545477) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide
PubChem CID56545477
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide
SMILESCn1ccnc1C(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccccc1
InChIInChI=1S/C25H22N4O3/c1-29-16-15-27-24(29)22(17-5-3-2-4-6-17)28-25(31)19-9-13-21(14-10-19)32-20-11-7-18(8-12-20)23(26)30/h2-16,22H,1H3,(H2,26,30)(H,28,31)
InChIKeyGVAAHQUVIGNOPI-UHFFFAOYSA-N
XLogP3.83
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25324448
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
CID 51926493
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
4-(4-chloro-2-nitrophenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 31357334
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide (CID 56545477) is 4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide is Cn1ccnc1C(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide?
The InChIKey is GVAAHQUVIGNOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-29-16-15-27-24(29)22(17-5-3-2-4-6-17)28-25(31)19-9-13-21(14-10-19)32-20-11-7-18(8-12-20)23(26)30/h2-16,22H,1H3,(H2,26,30)(H,28,31).
What are the key properties of 4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide?
4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide has a molecular weight of 426.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).