ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate

C14H21N3O2 — CID 158518328

IUPACethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate
SMILESCC.CNCCn1cnc2cccc(C(=O)OC)c21
InChIInChI=1S/C12H15N3O2.C2H6/c1-13-6-7-15-8-14-10-5-3-4-9(11(10)15)12(16)17-2;1-2/h3-5,8,13H,6-7H2,1-2H3;1-2H3
InChIKeyHLXCQFGLTJUYSV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds4

About ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate

ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate (PubChem CID 158518328) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate.

Molecular Properties

Compound Nameethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate
PubChem CID158518328
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate
SMILESCC.CNCCn1cnc2cccc(C(=O)OC)c21
InChIInChI=1S/C12H15N3O2.C2H6/c1-13-6-7-15-8-14-10-5-3-4-9(11(10)15)12(16)17-2;1-2/h3-5,8,13H,6-7H2,1-2H3;1-2H3
InChIKeyHLXCQFGLTJUYSV-UHFFFAOYSA-N
XLogP2.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate 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

methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate
CID 70935780
methyl 3-ethoxybenzimidazole-4-carboxylate
CID 141072626
3-[3-(methylamino)-3-oxopropyl]benzimidazole-4-carboxylic acid
CID 112577230
3-propylbenzimidazole-4-carboxylic acid
CID 82647147
3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid
CID 106339628
2-(7-ethoxycarbonylbenzimidazol-1-yl)acetic acid
CID 69266659
3-(3-methylbutyl)benzimidazole-4-carboxylic acid
CID 112577077
3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid
CID 112577165
3-(6-hydroxyhexyl)benzimidazole-4-carboxylic acid
CID 114008925
methyl 2-methyl-3-(2-oxoethyl)benzimidazole-4-carboxylate
CID 86672708
6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264089
3-benzylbenzimidazole-4-carboxylic acid
CID 83413316

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate?
The IUPAC name of ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate (CID 158518328) is ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate.
What is the SMILES notation for ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate?
The canonical SMILES for ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate is CC.CNCCn1cnc2cccc(C(=O)OC)c21.
What is the InChIKey of ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate?
The InChIKey is HLXCQFGLTJUYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2.C2H6/c1-13-6-7-15-8-14-10-5-3-4-9(11(10)15)12(16)17-2;1-2/h3-5,8,13H,6-7H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate?
ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate is sourced from PubChem (CID 158518328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).