N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide

C20H23N3O — CID 47012383

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
SMILESCCn1c(CNC(=O)C(C)(C)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-4-23-17-13-9-8-12-16(17)22-18(23)14-21-19(24)20(2,3)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3,(H,21,24)
InChIKeyHGZXWCJIFFWGGG-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.65
Rot. Bonds5

About N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide (PubChem CID 47012383) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
PubChem CID47012383
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
SMILESCCn1c(CNC(=O)C(C)(C)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-4-23-17-13-9-8-12-16(17)22-18(23)14-21-19(24)20(2,3)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3,(H,21,24)
InChIKeyHGZXWCJIFFWGGG-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide (CID 47012383) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide is CCn1c(CNC(=O)C(C)(C)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide?
The InChIKey is HGZXWCJIFFWGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-4-23-17-13-9-8-12-16(17)22-18(23)14-21-19(24)20(2,3)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3,(H,21,24).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide has a molecular weight of 321.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 47012383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).