[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate

C20H27N3O4 — CID 2099349

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C20H27N3O4/c1-20(2,3)13-6-4-12(5-7-13)18(25)27-11-17(24)21-14-8-9-15-16(10-14)23-19(26)22-15/h8-10,12-13H,4-7,11H2,1-3H3,(H,21,24)(H2,22,23,26)
InChIKeyRFEHTMBQGJESHG-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.19
Rot. Bonds4

About [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate (PubChem CID 2099349) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate
PubChem CID2099349
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C20H27N3O4/c1-20(2,3)13-6-4-12(5-7-13)18(25)27-11-17(24)21-14-8-9-15-16(10-14)23-19(26)22-15/h8-10,12-13H,4-7,11H2,1-3H3,(H,21,24)(H2,22,23,26)
InChIKeyRFEHTMBQGJESHG-UHFFFAOYSA-N
XLogP3.19
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate with MolForge

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Related Compounds

[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate
CID 4258341
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 24980237
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(4-fluorophenyl)acetate
CID 24980718
[2-(4-Acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 5126643
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] adamantane-1-carboxylate
CID 24817904
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8159698
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 24677733
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-phenylbutanoate
CID 16272263
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-bromoadamantane-1-carboxylate
CID 16296140
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-phenylbutanoate
CID 24687491
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-chloroadamantane-1-carboxylate
CID 25163548
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-(2-fluorophenyl)acetate
CID 17569350

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate (CID 2099349) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate is CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate?
The InChIKey is RFEHTMBQGJESHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-20(2,3)13-6-4-12(5-7-13)18(25)27-11-17(24)21-14-8-9-15-16(10-14)23-19(26)22-15/h8-10,12-13H,4-7,11H2,1-3H3,(H,21,24)(H2,22,23,26).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 2099349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).