1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate

C15H18N2O2 — CID 2456047

IUPAC1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate
SMILESO=C(OCc1nc2ccccc2[nH]1)C1CCCCC1
InChIInChI=1S/C15H18N2O2/c18-15(11-6-2-1-3-7-11)19-10-14-16-12-8-4-5-9-13(12)17-14/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyGIFOTIAOWSWXSM-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.19
Rot. Bonds3

About 1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate

1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate (PubChem CID 2456047) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate
PubChem CID2456047
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate
SMILESO=C(OCc1nc2ccccc2[nH]1)C1CCCCC1
InChIInChI=1S/C15H18N2O2/c18-15(11-6-2-1-3-7-11)19-10-14-16-12-8-4-5-9-13(12)17-14/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyGIFOTIAOWSWXSM-UHFFFAOYSA-N
XLogP3.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate?
The IUPAC name of 1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate (CID 2456047) is 1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate.
What is the SMILES notation for 1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate?
The canonical SMILES for 1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate is O=C(OCc1nc2ccccc2[nH]1)C1CCCCC1.
What is the InChIKey of 1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate?
The InChIKey is GIFOTIAOWSWXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(11-6-2-1-3-7-11)19-10-14-16-12-8-4-5-9-13(12)17-14/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17).
What are the key properties of 1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate?
1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate has a molecular weight of 258.32 g/mol, XLogP of 3.19, 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 cyclohexanecarboxylate is sourced from PubChem (CID 2456047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).