N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide

C20H25N3O2 — CID 110400781

IUPACN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N3O2/c24-18(20-10-13-7-14(11-20)9-15(8-13)12-20)21-5-6-23-17-4-2-1-3-16(17)22-19(23)25/h1-4,13-15H,5-12H2,(H,21,24)(H,22,25)
InChIKeyUZRGZGLYMBUAFG-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.66
Rot. Bonds4

About N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide

N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide (PubChem CID 110400781) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide
PubChem CID110400781
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N3O2/c24-18(20-10-13-7-14(11-20)9-15(8-13)12-20)21-5-6-23-17-4-2-1-3-16(17)22-19(23)25/h1-4,13-15H,5-12H2,(H,21,24)(H,22,25)
InChIKeyUZRGZGLYMBUAFG-UHFFFAOYSA-N
XLogP2.66
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110400789
(2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 97338296
2-(dimethylamino)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110610901
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide
CID 110610902
5-(4-fluorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pentanamide
CID 110617564
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide
CID 126799132
2-(2-methoxyphenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
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3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400726
2-(2-methylprop-2-enyl)-1-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
CID 111824841
3-[1-(adamantane-1-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide (CID 110400781) is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide is O=C(NCCn1c(=O)[nH]c2ccccc21)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is UZRGZGLYMBUAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-18(20-10-13-7-14(11-20)9-15(8-13)12-20)21-5-6-23-17-4-2-1-3-16(17)22-19(23)25/h1-4,13-15H,5-12H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide?
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110400781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).