3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide

C20H25N3O2 — CID 112791210

IUPAC3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)Nc1ccc4[nH]c(=O)[nH]c4c1)(C3)C2
InChIInChI=1S/C20H25N3O2/c1-18-6-12-7-19(2,9-18)11-20(8-12,10-18)16(24)21-13-3-4-14-15(5-13)23-17(25)22-14/h3-5,12H,6-11H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyVHCDXZANZOXDDB-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.79
Rot. Bonds2

About 3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide

3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide (PubChem CID 112791210) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide
PubChem CID112791210
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)Nc1ccc4[nH]c(=O)[nH]c4c1)(C3)C2
InChIInChI=1S/C20H25N3O2/c1-18-6-12-7-19(2,9-18)11-20(8-12,10-18)16(24)21-13-3-4-14-15(5-13)23-17(25)22-14/h3-5,12H,6-11H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyVHCDXZANZOXDDB-UHFFFAOYSA-N
XLogP3.79
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide (CID 112791210) is 3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)Nc1ccc4[nH]c(=O)[nH]c4c1)(C3)C2.
What is the InChIKey of 3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide?
The InChIKey is VHCDXZANZOXDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-18-6-12-7-19(2,9-18)11-20(8-12,10-18)16(24)21-13-3-4-14-15(5-13)23-17(25)22-14/h3-5,12H,6-11H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of 3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide?
3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide is sourced from PubChem (CID 112791210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).