2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid

C15H18N2O3 — CID 82502145

IUPAC2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
SMILESO=C(O)C(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C15H18N2O3/c18-14(19)13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)17-15(20)16-11/h6-9,13H,1-5H2,(H,18,19)(H2,16,17,20)
InChIKeyZWMJZNOKVFPSKB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.60
Rot. Bonds3

About 2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid

2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid (PubChem CID 82502145) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
PubChem CID82502145
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
SMILESO=C(O)C(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C15H18N2O3/c18-14(19)13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)17-15(20)16-11/h6-9,13H,1-5H2,(H,18,19)(H2,16,17,20)
InChIKeyZWMJZNOKVFPSKB-UHFFFAOYSA-N
XLogP2.60
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid (CID 82502145) is 2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid is O=C(O)C(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid?
The InChIKey is ZWMJZNOKVFPSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(19)13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)17-15(20)16-11/h6-9,13H,1-5H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid?
2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid is sourced from PubChem (CID 82502145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).