[(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate

C16H20N2O2 — CID 1079144

IUPAC[(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
SMILESC[C@@H](OC(=O)C1CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H20N2O2/c1-11(20-16(19)12-7-3-2-4-8-12)15-17-13-9-5-6-10-14(13)18-15/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyILFMPTSSINAROH-LLVKDONJSA-N
MW272.35 g/mol
LogP3.75
Rot. Bonds3

About [(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate

[(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate (PubChem CID 1079144) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
PubChem CID1079144
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
SMILESC[C@@H](OC(=O)C1CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H20N2O2/c1-11(20-16(19)12-7-3-2-4-8-12)15-17-13-9-5-6-10-14(13)18-15/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyILFMPTSSINAROH-LLVKDONJSA-N
XLogP3.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-yl)ethyl cyclohexanecarboxylate
CID 3152016
2-(1H-benzimidazol-2-yl)-3-cyclohexyl-3-oxopropanenitrile
CID 2999322
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
1-(1H-benzimidazol-2-yl)ethyl 3,4-dichlorobenzoate
CID 154833747
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide
CID 2531246
2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole
CID 11426309
1-(1H-benzimidazol-2-yl)ethyl 4-nitrobenzoate
CID 3612510
4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid
CID 69478417
1-(1H-benzimidazol-2-yl)ethyl 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 102555597
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 8019458

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate?
The IUPAC name of [(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate (CID 1079144) is [(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate.
What is the SMILES notation for [(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate?
The canonical SMILES for [(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate is C[C@@H](OC(=O)C1CCCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of [(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate?
The InChIKey is ILFMPTSSINAROH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(20-16(19)12-7-3-2-4-8-12)15-17-13-9-5-6-10-14(13)18-15/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of [(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate?
[(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate has a molecular weight of 272.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate is sourced from PubChem (CID 1079144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).