propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate

C15H20N2O3 — CID 16995553

IUPACpropan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1c(CCCO)nc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-11(2)20-15(19)10-17-13-7-4-3-6-12(13)16-14(17)8-5-9-18/h3-4,6-7,11,18H,5,8-10H2,1-2H3
InChIKeySGFOLXNBJUXTJS-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.91
Rot. Bonds6

About propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate

propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate (PubChem CID 16995553) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
PubChem CID16995553
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namepropan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1c(CCCO)nc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-11(2)20-15(19)10-17-13-7-4-3-6-12(13)16-14(17)8-5-9-18/h3-4,6-7,11,18H,5,8-10H2,1-2H3
InChIKeySGFOLXNBJUXTJS-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 16995330
propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
CID 63637880
methyl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995551
propan-2-yl 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]acetate
CID 16980658
propan-2-yl 2-[2-[5-(2-methylpropanoylamino)pentyl]benzimidazol-1-yl]acetate
CID 16988772
propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate
CID 16974242
propan-2-yl 2-[2-[5-(propanoylamino)pentyl]benzimidazol-1-yl]acetate
CID 16988124
propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate
CID 16982493
propan-2-yl 2-[2-[3-(cyclohexanecarbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16981598
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
2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16995539

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate (CID 16995553) is propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate is CC(C)OC(=O)Cn1c(CCCO)nc2ccccc21.
What is the InChIKey of propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate?
The InChIKey is SGFOLXNBJUXTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(2)20-15(19)10-17-13-7-4-3-6-12(13)16-14(17)8-5-9-18/h3-4,6-7,11,18H,5,8-10H2,1-2H3.
What are the key properties of propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate?
propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate has a molecular weight of 276.34 g/mol, XLogP of 1.91, 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-(3-hydroxypropyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 16995553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).