2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone

C23H28N4O3 — CID 131927451

IUPAC2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1nc2cc(CNCc3ccc(OCC(=O)N4CCOCC4)cc3)ccc2n1C
InChIInChI=1S/C23H28N4O3/c1-17-25-21-13-19(5-8-22(21)26(17)2)15-24-14-18-3-6-20(7-4-18)30-16-23(28)27-9-11-29-12-10-27/h3-8,13,24H,9-12,14-16H2,1-2H3
InChIKeyYJYRLKLGIFNWEW-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.41
Rot. Bonds7

About 2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone

2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 131927451) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID131927451
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1nc2cc(CNCc3ccc(OCC(=O)N4CCOCC4)cc3)ccc2n1C
InChIInChI=1S/C23H28N4O3/c1-17-25-21-13-19(5-8-22(21)26(17)2)15-24-14-18-3-6-20(7-4-18)30-16-23(28)27-9-11-29-12-10-27/h3-8,13,24H,9-12,14-16H2,1-2H3
InChIKeyYJYRLKLGIFNWEW-UHFFFAOYSA-N
XLogP2.41
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[4-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131938246
3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115135338
2-ethyl-4-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-oxazole-5-carboxamide
CID 131917366
1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine
CID 115135940
2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 170920910
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2-oxoacetate
CID 115142414
1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110800386
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone (CID 131927451) is 2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone is Cc1nc2cc(CNCc3ccc(OCC(=O)N4CCOCC4)cc3)ccc2n1C.
What is the InChIKey of 2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is YJYRLKLGIFNWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17-25-21-13-19(5-8-22(21)26(17)2)15-24-14-18-3-6-20(7-4-18)30-16-23(28)27-9-11-29-12-10-27/h3-8,13,24H,9-12,14-16H2,1-2H3.
What are the key properties of 2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 408.50 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 131927451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).