2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide

C23H28N4O2 — CID 73355096

IUPAC2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide
SMILESO=C(NC1(C(=O)NCCc2cnc[nH]2)C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C23H28N4O2/c28-21(17-4-2-1-3-5-17)27-23(22(29)25-7-6-20-13-24-14-26-20)18-9-15-8-16(11-18)12-19(23)10-15/h1-5,13-16,18-19H,6-12H2,(H,24,26)(H,25,29)(H,27,28)
InChIKeyPBRXKVBKCCBSMF-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.69
Rot. Bonds6

About 2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide

2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide (PubChem CID 73355096) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide
PubChem CID73355096
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide
SMILESO=C(NC1(C(=O)NCCc2cnc[nH]2)C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C23H28N4O2/c28-21(17-4-2-1-3-5-17)27-23(22(29)25-7-6-20-13-24-14-26-20)18-9-15-8-16(11-18)12-19(23)10-15/h1-5,13-16,18-19H,6-12H2,(H,24,26)(H,25,29)(H,27,28)
InChIKeyPBRXKVBKCCBSMF-UHFFFAOYSA-N
XLogP2.69
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide?
The IUPAC name of 2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide (CID 73355096) is 2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide.
What is the SMILES notation for 2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide?
The canonical SMILES for 2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide is O=C(NC1(C(=O)NCCc2cnc[nH]2)C2CC3CC(C2)CC1C3)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide?
The InChIKey is PBRXKVBKCCBSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-21(17-4-2-1-3-5-17)27-23(22(29)25-7-6-20-13-24-14-26-20)18-9-15-8-16(11-18)12-19(23)10-15/h1-5,13-16,18-19H,6-12H2,(H,24,26)(H,25,29)(H,27,28).
What are the key properties of 2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide?
2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[2-(1H-imidazol-5-yl)ethyl]adamantane-2-carboxamide is sourced from PubChem (CID 73355096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).