N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide

C21H23N3O — CID 16972514

IUPACN-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESC=C(C)Cn1c(C(C)NC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-15(2)14-24-19-12-8-7-11-18(19)23-21(24)16(3)22-20(25)13-17-9-5-4-6-10-17/h4-12,16H,1,13-14H2,2-3H3,(H,22,25)
InChIKeyBGXJIFHDTHKFIC-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.03
Rot. Bonds6

About N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide

N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide (PubChem CID 16972514) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
PubChem CID16972514
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESC=C(C)Cn1c(C(C)NC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-15(2)14-24-19-12-8-7-11-18(19)23-21(24)16(3)22-20(25)13-17-9-5-4-6-10-17/h4-12,16H,1,13-14H2,2-3H3,(H,22,25)
InChIKeyBGXJIFHDTHKFIC-UHFFFAOYSA-N
XLogP4.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973153
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971716
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971556
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969002
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530
N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972536
N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971693
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide (CID 16972514) is N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide is C=C(C)Cn1c(C(C)NC(=O)Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The InChIKey is BGXJIFHDTHKFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15(2)14-24-19-12-8-7-11-18(19)23-21(24)16(3)22-20(25)13-17-9-5-4-6-10-17/h4-12,16H,1,13-14H2,2-3H3,(H,22,25).
What are the key properties of N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide?
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide has a molecular weight of 333.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 16972514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).