3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide

C19H27N3O2 — CID 91835857

IUPAC3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)N(C)CC1CCCCO1
InChIInChI=1S/C19H27N3O2/c1-3-18-20-16-9-4-5-10-17(16)22(18)12-11-19(23)21(2)14-15-8-6-7-13-24-15/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3
InChIKeyJFYFMPMQTOQNRJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.02
Rot. Bonds6

About 3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide

3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide (PubChem CID 91835857) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
PubChem CID91835857
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)N(C)CC1CCCCO1
InChIInChI=1S/C19H27N3O2/c1-3-18-20-16-9-4-5-10-17(16)22(18)12-11-19(23)21(2)14-15-8-6-7-13-24-15/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3
InChIKeyJFYFMPMQTOQNRJ-UHFFFAOYSA-N
XLogP3.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide 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

N-(cyclohexylmethyl)-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 55563675
N-cyclopropyl-3-(2-ethylbenzimidazol-1-yl)propanamide
CID 115602213
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 167983187
2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824376
1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole
CID 116626992
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
CID 79753354
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 119068190
3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
CID 61436237
3-(2-ethylbenzimidazol-1-yl)-N-(4-methoxycyclohexyl)propanamide
CID 90647636
3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide
CID 124950829

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide (CID 91835857) is 3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide is CCc1nc2ccccc2n1CCC(=O)N(C)CC1CCCCO1.
What is the InChIKey of 3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide?
The InChIKey is JFYFMPMQTOQNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-18-20-16-9-4-5-10-17(16)22(18)12-11-19(23)21(2)14-15-8-6-7-13-24-15/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3.
What are the key properties of 3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide?
3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide has a molecular weight of 329.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide is sourced from PubChem (CID 91835857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).