ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate

C18H18N2O2 — CID 17000863

IUPACethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(-c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C18H18N2O2/c1-3-22-17(21)12-20-16-10-5-4-9-15(16)19-18(20)14-8-6-7-13(2)11-14/h4-11H,3,12H2,1-2H3
InChIKeyOTKYZRGWADPGMF-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.57
Rot. Bonds4

About ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate

ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate (PubChem CID 17000863) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate
PubChem CID17000863
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Nameethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(-c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C18H18N2O2/c1-3-22-17(21)12-20-16-10-5-4-9-15(16)19-18(20)14-8-6-7-13(2)11-14/h4-11H,3,12H2,1-2H3
InChIKeyOTKYZRGWADPGMF-UHFFFAOYSA-N
XLogP3.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate
CID 16644397
N-(4-methoxyphenyl)-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032844
prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate
CID 3260820
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
CID 10376688
ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
CID 155778333
4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82149999
N-cyclopentyl-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032820
N,N-diethyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17001793
2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 17000859
ethyl 2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]acetate
CID 16998057
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate (CID 17000863) is ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate is CCOC(=O)Cn1c(-c2cccc(C)c2)nc2ccccc21.
What is the InChIKey of ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate?
The InChIKey is OTKYZRGWADPGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-22-17(21)12-20-16-10-5-4-9-15(16)19-18(20)14-8-6-7-13(2)11-14/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate?
ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate has a molecular weight of 294.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 17000863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).