2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide

C21H30N4O2 — CID 119770786

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide
SMILESCCOCCCn1c(NC(=O)CC2CC3CCC(C2)N3)nc2ccccc21
InChIInChI=1S/C21H30N4O2/c1-2-27-11-5-10-25-19-7-4-3-6-18(19)23-21(25)24-20(26)14-15-12-16-8-9-17(13-15)22-16/h3-4,6-7,15-17,22H,2,5,8-14H2,1H3,(H,23,24,26)
InChIKeyCKVRLTMQPGOLMX-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.32
Rot. Bonds8

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide (PubChem CID 119770786) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide
PubChem CID119770786
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide
SMILESCCOCCCn1c(NC(=O)CC2CC3CCC(C2)N3)nc2ccccc21
InChIInChI=1S/C21H30N4O2/c1-2-27-11-5-10-25-19-7-4-3-6-18(19)23-21(25)24-20(26)14-15-12-16-8-9-17(13-15)22-16/h3-4,6-7,15-17,22H,2,5,8-14H2,1H3,(H,23,24,26)
InChIKeyCKVRLTMQPGOLMX-UHFFFAOYSA-N
XLogP3.32
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770793
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide
CID 97029603
(2S,5R)-5-(aminomethyl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]oxolane-2-carboxamide
CID 120791824
2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 78814283
(2S,5R)-5-(aminomethyl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120791823
3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride
CID 119770789
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]propanamide
CID 745084
N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 56500209
N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide
CID 72688822
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718343

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide (CID 119770786) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide is CCOCCCn1c(NC(=O)CC2CC3CCC(C2)N3)nc2ccccc21.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide?
The InChIKey is CKVRLTMQPGOLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-2-27-11-5-10-25-19-7-4-3-6-18(19)23-21(25)24-20(26)14-15-12-16-8-9-17(13-15)22-16/h3-4,6-7,15-17,22H,2,5,8-14H2,1H3,(H,23,24,26).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide has a molecular weight of 370.50 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide is sourced from PubChem (CID 119770786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).