methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate

C18H19N3O2 — CID 75518351

IUPACmethyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NCc2nc3ccccc3n2C)c1
InChIInChI=1S/C18H19N3O2/c1-21-16-9-4-3-8-15(16)20-17(21)12-19-14-7-5-6-13(10-14)11-18(22)23-2/h3-10,19H,11-12H2,1-2H3
InChIKeyQOUSTUGCXUJHNC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.90
Rot. Bonds5

About methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate

methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate (PubChem CID 75518351) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate
PubChem CID75518351
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Namemethyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NCc2nc3ccccc3n2C)c1
InChIInChI=1S/C18H19N3O2/c1-21-16-9-4-3-8-15(16)20-17(21)12-19-14-7-5-6-13(10-14)11-18(22)23-2/h3-10,19H,11-12H2,1-2H3
InChIKeyQOUSTUGCXUJHNC-UHFFFAOYSA-N
XLogP2.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate 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-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
CID 63757268
methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate
CID 86237797
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
CID 107679286
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
2-methyl-3-[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]propanoic acid
CID 166237744
diethyl 2-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]propanedioate
CID 146681628
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
3-[3-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]phenyl]propanoic acid
CID 122044144
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
1-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]-1,3-diazinan-2-one
CID 75385583
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate?
The IUPAC name of methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate (CID 75518351) is methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate is COC(=O)Cc1cccc(NCc2nc3ccccc3n2C)c1.
What is the InChIKey of methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate?
The InChIKey is QOUSTUGCXUJHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21-16-9-4-3-8-15(16)20-17(21)12-19-14-7-5-6-13(10-14)11-18(22)23-2/h3-10,19H,11-12H2,1-2H3.
What are the key properties of methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate?
methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate has a molecular weight of 309.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate is sourced from PubChem (CID 75518351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).