1H-benzimidazol-2-ylmethyl propanoate

C11H12N2O2 — CID 20738516

IUPAC1H-benzimidazol-2-ylmethyl propanoate
SMILESCCC(=O)OCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-2-11(14)15-7-10-12-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyPKGBJVIWKMCGGN-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.02
Rot. Bonds3

About 1H-benzimidazol-2-ylmethyl propanoate

1H-benzimidazol-2-ylmethyl propanoate (PubChem CID 20738516) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylmethyl propanoate.

Molecular Properties

Compound Name1H-benzimidazol-2-ylmethyl propanoate
PubChem CID20738516
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1H-benzimidazol-2-ylmethyl propanoate
SMILESCCC(=O)OCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-2-11(14)15-7-10-12-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyPKGBJVIWKMCGGN-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-benzimidazol-2-ylmethyl 2-sulfanylacetate
CID 168757870
1H-benzimidazol-2-ylmethyl N-(ethoxymethyl)carbamate
CID 171659147
1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate
CID 54117678
1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium
CID 171659142
ethyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)acetate
CID 47117793
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
4-(1H-benzimidazol-2-ylmethoxy)benzamide
CID 142600756
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-(pentoxymethyl)-1H-benzimidazole
CID 139950764
ethyl 3-(1H-benzimidazol-2-ylmethyl)-3-methylpentanoate
CID 19889649
ethyl N-[3-(1H-benzimidazol-2-yl)propanoylamino]carbamate
CID 43042112
ethyl 4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutanoate
CID 78910859

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylmethyl propanoate?
The IUPAC name of 1H-benzimidazol-2-ylmethyl propanoate (CID 20738516) is 1H-benzimidazol-2-ylmethyl propanoate.
What is the SMILES notation for 1H-benzimidazol-2-ylmethyl propanoate?
The canonical SMILES for 1H-benzimidazol-2-ylmethyl propanoate is CCC(=O)OCc1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-ylmethyl propanoate?
The InChIKey is PKGBJVIWKMCGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-11(14)15-7-10-12-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of 1H-benzimidazol-2-ylmethyl propanoate?
1H-benzimidazol-2-ylmethyl propanoate has a molecular weight of 204.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-ylmethyl propanoate is sourced from PubChem (CID 20738516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).