methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate

C12H14N2O2 — CID 699512

IUPACmethyl 1-ethyl-2-methylbenzimidazole-5-carboxylate
SMILESCCn1c(C)nc2cc(C(=O)OC)ccc21
InChIInChI=1S/C12H14N2O2/c1-4-14-8(2)13-10-7-9(12(15)16-3)5-6-11(10)14/h5-7H,4H2,1-3H3
InChIKeyCLJIRVRIUQJCQU-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.15
Rot. Bonds2

About methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate

methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate (PubChem CID 699512) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-2-methylbenzimidazole-5-carboxylate
PubChem CID699512
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namemethyl 1-ethyl-2-methylbenzimidazole-5-carboxylate
SMILESCCn1c(C)nc2cc(C(=O)OC)ccc21
InChIInChI=1S/C12H14N2O2/c1-4-14-8(2)13-10-7-9(12(15)16-3)5-6-11(10)14/h5-7H,4H2,1-3H3
InChIKeyCLJIRVRIUQJCQU-UHFFFAOYSA-N
XLogP2.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate (CID 699512) is methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate is CCn1c(C)nc2cc(C(=O)OC)ccc21.
What is the InChIKey of methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate?
The InChIKey is CLJIRVRIUQJCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-4-14-8(2)13-10-7-9(12(15)16-3)5-6-11(10)14/h5-7H,4H2,1-3H3.
What are the key properties of methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate?
methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate has a molecular weight of 218.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate is sourced from PubChem (CID 699512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).