2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide

C16H22N4O2 — CID 120797230

IUPAC2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCCc1nc2ccccc2[nH]1)C1CCOCC1
InChIInChI=1S/C16H22N4O2/c17-15(11-6-9-22-10-7-11)16(21)18-8-5-14-19-12-3-1-2-4-13(12)20-14/h1-4,11,15H,5-10,17H2,(H,18,21)(H,19,20)
InChIKeyZEONPOIIMJHKHG-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.98
Rot. Bonds5

About 2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide

2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide (PubChem CID 120797230) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
PubChem CID120797230
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCCc1nc2ccccc2[nH]1)C1CCOCC1
InChIInChI=1S/C16H22N4O2/c17-15(11-6-9-22-10-7-11)16(21)18-8-5-14-19-12-3-1-2-4-13(12)20-14/h1-4,11,15H,5-10,17H2,(H,18,21)(H,19,20)
InChIKeyZEONPOIIMJHKHG-UHFFFAOYSA-N
XLogP0.98
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)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

(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835126
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 119835102
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
2-amino-N-[2-(2,6-dichlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789587
2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787345
2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798737
2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97125327
N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79671903

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide (CID 120797230) is 2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide is NC(C(=O)NCCc1nc2ccccc2[nH]1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide?
The InChIKey is ZEONPOIIMJHKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-15(11-6-9-22-10-7-11)16(21)18-8-5-14-19-12-3-1-2-4-13(12)20-14/h1-4,11,15H,5-10,17H2,(H,18,21)(H,19,20).
What are the key properties of 2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120797230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).