propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate

C14H19N3O2 — CID 63637880

IUPACpropan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1c(CCN)nc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-10(2)19-14(18)9-17-12-6-4-3-5-11(12)16-13(17)7-8-15/h3-6,10H,7-9,15H2,1-2H3
InChIKeyORRJGOSAACDKLG-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.49
Rot. Bonds5

About propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate

propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate (PubChem CID 63637880) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
PubChem CID63637880
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namepropan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1c(CCN)nc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-10(2)19-14(18)9-17-12-6-4-3-5-11(12)16-13(17)7-8-15/h3-6,10H,7-9,15H2,1-2H3
InChIKeyORRJGOSAACDKLG-UHFFFAOYSA-N
XLogP1.49
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995553
propan-2-yl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 16995330
propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate
CID 16974242
propan-2-yl 2-[2-[5-(2-methylpropanoylamino)pentyl]benzimidazol-1-yl]acetate
CID 16988772
propan-2-yl 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]acetate
CID 16980658
propan-2-yl 2-[2-[2-[(4-chlorobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16977270
propan-2-yl 2-[2-[5-(propanoylamino)pentyl]benzimidazol-1-yl]acetate
CID 16988124
propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17009130
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide
CID 63636509
propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate
CID 16982493
propan-2-yl 2-[2-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975126
methyl 2-[2-[2-(2-methylpropanoylamino)ethyl]benzimidazol-1-yl]acetate
CID 16974953

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate (CID 63637880) is propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate is CC(C)OC(=O)Cn1c(CCN)nc2ccccc21.
What is the InChIKey of propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate?
The InChIKey is ORRJGOSAACDKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)19-14(18)9-17-12-6-4-3-5-11(12)16-13(17)7-8-15/h3-6,10H,7-9,15H2,1-2H3.
What are the key properties of propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate?
propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate has a molecular weight of 261.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 63637880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).