methyl 3-(1H-benzimidazol-2-yl)propanoate

C11H12N2O2 — CID 1417878

IUPACmethyl 3-(1H-benzimidazol-2-yl)propanoate
SMILESCOC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-15-11(14)7-6-10-12-8-4-2-3-5-9(8)13-10/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyKNWWNAWZKMKIPF-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.67
Rot. Bonds3

About methyl 3-(1H-benzimidazol-2-yl)propanoate

methyl 3-(1H-benzimidazol-2-yl)propanoate (PubChem CID 1417878) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 3-(1H-benzimidazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1H-benzimidazol-2-yl)propanoate
PubChem CID1417878
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 3-(1H-benzimidazol-2-yl)propanoate
SMILESCOC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-15-11(14)7-6-10-12-8-4-2-3-5-9(8)13-10/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyKNWWNAWZKMKIPF-UHFFFAOYSA-N
XLogP1.67
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-benzimidazol-2-yl)propanoate?
The IUPAC name of methyl 3-(1H-benzimidazol-2-yl)propanoate (CID 1417878) is methyl 3-(1H-benzimidazol-2-yl)propanoate.
What is the SMILES notation for methyl 3-(1H-benzimidazol-2-yl)propanoate?
The canonical SMILES for methyl 3-(1H-benzimidazol-2-yl)propanoate is COC(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of methyl 3-(1H-benzimidazol-2-yl)propanoate?
The InChIKey is KNWWNAWZKMKIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-11(14)7-6-10-12-8-4-2-3-5-9(8)13-10/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of methyl 3-(1H-benzimidazol-2-yl)propanoate?
methyl 3-(1H-benzimidazol-2-yl)propanoate has a molecular weight of 204.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-benzimidazol-2-yl)propanoate is sourced from PubChem (CID 1417878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).