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

C16H21N3O3 — CID 16974242

IUPACpropan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate
SMILESCC(=O)NCCc1nc2ccccc2n1CC(=O)OC(C)C
InChIInChI=1S/C16H21N3O3/c1-11(2)22-16(21)10-19-14-7-5-4-6-13(14)18-15(19)8-9-17-12(3)20/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyCCMSLPFYVACUJN-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.67
Rot. Bonds6

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

propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate (PubChem CID 16974242) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate
PubChem CID16974242
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Namepropan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate
SMILESCC(=O)NCCc1nc2ccccc2n1CC(=O)OC(C)C
InChIInChI=1S/C16H21N3O3/c1-11(2)22-16(21)10-19-14-7-5-4-6-13(14)18-15(19)8-9-17-12(3)20/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyCCMSLPFYVACUJN-UHFFFAOYSA-N
XLogP1.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975126
propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
CID 63637880
propan-2-yl 2-[2-[5-(2-methylpropanoylamino)pentyl]benzimidazol-1-yl]acetate
CID 16988772
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-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate
CID 16982493
methyl 2-[2-[2-(2-methylpropanoylamino)ethyl]benzimidazol-1-yl]acetate
CID 16974953
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16974140
propan-2-yl 2-[2-[5-(propanoylamino)pentyl]benzimidazol-1-yl]acetate
CID 16988124
propan-2-yl 2-[2-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]acetate
CID 16978750

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate (CID 16974242) is propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate is CC(=O)NCCc1nc2ccccc2n1CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate?
The InChIKey is CCMSLPFYVACUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(2)22-16(21)10-19-14-7-5-4-6-13(14)18-15(19)8-9-17-12(3)20/h4-7,11H,8-10H2,1-3H3,(H,17,20).
What are the key properties of propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate?
propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate has a molecular weight of 303.36 g/mol, XLogP of 1.67, 6 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-acetamidoethyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 16974242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).