methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate

C17H16N2O2 — CID 115357707

IUPACmethyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate
SMILESCCc1ccccc1-c1nc2c(C(=O)OC)cccc2[nH]1
InChIInChI=1S/C17H16N2O2/c1-3-11-7-4-5-8-12(11)16-18-14-10-6-9-13(15(14)19-16)17(20)21-2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyRWUKGWKOPNFXNJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.58
Rot. Bonds3

About methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate

methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate (PubChem CID 115357707) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate
PubChem CID115357707
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate
SMILESCCc1ccccc1-c1nc2c(C(=O)OC)cccc2[nH]1
InChIInChI=1S/C17H16N2O2/c1-3-11-7-4-5-8-12(11)16-18-14-10-6-9-13(15(14)19-16)17(20)21-2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyRWUKGWKOPNFXNJ-UHFFFAOYSA-N
XLogP3.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
CID 115357602
methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate
CID 115357561
methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 64693085
methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate
CID 115357586
methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
CID 115357533
methyl 2-[4-chloro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 67201064
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914
methyl 2-(5-bromofuran-2-yl)-1H-benzimidazole-4-carboxylate
CID 113293389
methyl 2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1H-benzimidazole-4-carboxylate
CID 136502034
methyl 2-(2-phenylethyl)-1H-benzimidazole-4-carboxylate
CID 115357526
methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate
CID 114560144
methyl 2-formyl-1H-benzimidazole-4-carboxylate
CID 18354851

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate (CID 115357707) is methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate is CCc1ccccc1-c1nc2c(C(=O)OC)cccc2[nH]1.
What is the InChIKey of methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate?
The InChIKey is RWUKGWKOPNFXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-11-7-4-5-8-12(11)16-18-14-10-6-9-13(15(14)19-16)17(20)21-2/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate?
methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 115357707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).