5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one

C25H27N3O3 — CID 17208262

IUPAC5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1ccccc1CNCc1ccc(OCc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H27N3O3/c1-27-22-13-10-19(14-23(22)28(2)25(27)29)17-31-21-11-8-18(9-12-21)15-26-16-20-6-4-5-7-24(20)30-3/h4-14,26H,15-17H2,1-3H3
InChIKeyLJZOIYAIDZETEJ-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.75
Rot. Bonds8

About 5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one

5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 17208262) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID17208262
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1ccccc1CNCc1ccc(OCc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H27N3O3/c1-27-22-13-10-19(14-23(22)28(2)25(27)29)17-31-21-11-8-18(9-12-21)15-26-16-20-6-4-5-7-24(20)30-3/h4-14,26H,15-17H2,1-3H3
InChIKeyLJZOIYAIDZETEJ-UHFFFAOYSA-N
XLogP3.75
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one with MolForge

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Related Compounds

5-[1-hydroxy-2-[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethyl]-1,3-dimethylbenzimidazol-2-one
CID 17208264
5-[1-hydroxy-2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenoxy]ethyl]-1,3-dimethylbenzimidazol-2-one
CID 17207444
5-[[4-[[3-(2-hydroxyethylamino)propylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one
CID 17214319
5-[1-hydroxy-2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenoxy]ethyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 17207443
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
3-[[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methoxy]phenyl]methylamino]-4-methoxybenzoic acid
CID 17058738
5-[[2-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 17151617
2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17207157
1-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 17054326
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79979679
5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 132912487

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one (CID 17208262) is 5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one is COc1ccccc1CNCc1ccc(OCc2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of 5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is LJZOIYAIDZETEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-27-22-13-10-19(14-23(22)28(2)25(27)29)17-31-21-11-8-18(9-12-21)15-26-16-20-6-4-5-7-24(20)30-3/h4-14,26H,15-17H2,1-3H3.
What are the key properties of 5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one?
5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 417.51 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 17208262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).