2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide

C25H34N4O2 — CID 134036952

IUPAC2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H34N4O2/c1-17-28-21-5-2-3-6-22(21)29(17)8-4-7-26-24(31)16-27-23(30)15-25-12-18-9-19(13-25)11-20(10-18)14-25/h2-3,5-6,18-20H,4,7-16H2,1H3,(H,26,31)(H,27,30)
InChIKeyJCASQOPDGUMBSH-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.57
Rot. Bonds8

About 2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide (PubChem CID 134036952) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide
PubChem CID134036952
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H34N4O2/c1-17-28-21-5-2-3-6-22(21)29(17)8-4-7-26-24(31)16-27-23(30)15-25-12-18-9-19(13-25)11-20(10-18)14-25/h2-3,5-6,18-20H,4,7-16H2,1H3,(H,26,31)(H,27,30)
InChIKeyJCASQOPDGUMBSH-UHFFFAOYSA-N
XLogP3.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 47238303
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
CID 51711691
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24554300
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-phenylcyclopropane-1-carboxamide
CID 134036894
2-(1-hydroxycyclohexyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 111331643
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47082344
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 111618398
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51336912

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide (CID 134036952) is 2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide is Cc1nc2ccccc2n1CCCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide?
The InChIKey is JCASQOPDGUMBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-17-28-21-5-2-3-6-22(21)29(17)8-4-7-26-24(31)16-27-23(30)15-25-12-18-9-19(13-25)11-20(10-18)14-25/h2-3,5-6,18-20H,4,7-16H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide has a molecular weight of 422.57 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 134036952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).