ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate

C14H19N3O2 — CID 70140706

IUPACethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(C(N)C(C)C)cc2[nH]1
InChIInChI=1S/C14H19N3O2/c1-4-19-14(18)13-16-10-6-5-9(7-11(10)17-13)12(15)8(2)3/h5-8,12H,4,15H2,1-3H3,(H,16,17)
InChIKeyFMZSKRVZBAOSTC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.40
Rot. Bonds4

About ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate

ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate (PubChem CID 70140706) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate
PubChem CID70140706
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(C(N)C(C)C)cc2[nH]1
InChIInChI=1S/C14H19N3O2/c1-4-19-14(18)13-16-10-6-5-9(7-11(10)17-13)12(15)8(2)3/h5-8,12H,4,15H2,1-3H3,(H,16,17)
InChIKeyFMZSKRVZBAOSTC-UHFFFAOYSA-N
XLogP2.40
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate?
The IUPAC name of ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate (CID 70140706) is ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate.
What is the SMILES notation for ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate?
The canonical SMILES for ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate is CCOC(=O)c1nc2ccc(C(N)C(C)C)cc2[nH]1.
What is the InChIKey of ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate?
The InChIKey is FMZSKRVZBAOSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-19-14(18)13-16-10-6-5-9(7-11(10)17-13)12(15)8(2)3/h5-8,12H,4,15H2,1-3H3,(H,16,17).
What are the key properties of ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate?
ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate is sourced from PubChem (CID 70140706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).