N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide

C18H19N3O — CID 4082682

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)Cc1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C18H19N3O/c1-13(19-17(22)12-14-8-4-3-5-9-14)18-20-15-10-6-7-11-16(15)21(18)2/h3-11,13H,12H2,1-2H3,(H,19,22)
InChIKeyXAWBTSZYEOYVSG-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.99
Rot. Bonds4

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide (PubChem CID 4082682) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
PubChem CID4082682
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)Cc1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C18H19N3O/c1-13(19-17(22)12-14-8-4-3-5-9-14)18-20-15-10-6-7-11-16(15)21(18)2/h3-11,13H,12H2,1-2H3,(H,19,22)
InChIKeyXAWBTSZYEOYVSG-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 95772905
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972514
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 124571675
2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 119890038
N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 95772163
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
2-(4-ethylpiperazin-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 131944683

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide (CID 4082682) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide is CC(NC(=O)Cc1ccccc1)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide?
The InChIKey is XAWBTSZYEOYVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13(19-17(22)12-14-8-4-3-5-9-14)18-20-15-10-6-7-11-16(15)21(18)2/h3-11,13H,12H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide has a molecular weight of 293.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 4082682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).