methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate

C17H16N2O3 — CID 10851452

IUPACmethyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1c(OC)nc2ccccc21
InChIInChI=1S/C17H16N2O3/c1-21-16(20)13-8-4-3-7-12(13)11-19-15-10-6-5-9-14(15)18-17(19)22-2/h3-10H,11H2,1-2H3
InChIKeyLRRKRQQRKUNVSD-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.88
Rot. Bonds4

About methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate

methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate (PubChem CID 10851452) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate
PubChem CID10851452
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1c(OC)nc2ccccc21
InChIInChI=1S/C17H16N2O3/c1-21-16(20)13-8-4-3-7-12(13)11-19-15-10-6-5-9-14(15)18-17(19)22-2/h3-10H,11H2,1-2H3
InChIKeyLRRKRQQRKUNVSD-UHFFFAOYSA-N
XLogP2.88
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate 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

2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde
CID 10849367
methyl 2-[(2,5-dimethylpyrrol-1-yl)methyl]benzoate
CID 92670407
methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate
CID 151899237
2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide
CID 116622514
methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate
CID 142221111
methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 18166122
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975906
2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990100
N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988661
2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979574
methyl 4-[1-[(2-iodophenyl)methyl]benzimidazol-2-yl]sulfanylbenzoate
CID 102184595
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006062

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate?
The IUPAC name of methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate (CID 10851452) is methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate?
The canonical SMILES for methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate is COC(=O)c1ccccc1Cn1c(OC)nc2ccccc21.
What is the InChIKey of methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate?
The InChIKey is LRRKRQQRKUNVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-16(20)13-8-4-3-7-12(13)11-19-15-10-6-5-9-14(15)18-17(19)22-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate?
methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate has a molecular weight of 296.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate is sourced from PubChem (CID 10851452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).