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

C20H21N3O — CID 4753696

IUPACN-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
SMILESC=C(C)Cn1c(C(C)NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H21N3O/c1-14(2)13-23-18-12-8-7-11-17(18)22-19(23)15(3)21-20(24)16-9-5-4-6-10-16/h4-12,15H,1,13H2,2-3H3,(H,21,24)
InChIKeyGWASTGMBCCIIOV-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.10
Rot. Bonds5

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

N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 4753696) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID4753696
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
SMILESC=C(C)Cn1c(C(C)NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H21N3O/c1-14(2)13-23-18-12-8-7-11-17(18)22-19(23)15(3)21-20(24)16-9-5-4-6-10-16/h4-12,15H,1,13H2,2-3H3,(H,21,24)
InChIKeyGWASTGMBCCIIOV-UHFFFAOYSA-N
XLogP4.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.10
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

N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972514
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965517
2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969002
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444
4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009305
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971716
N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967438
N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 4001792
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide (CID 4753696) is N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide is C=C(C)Cn1c(C(C)NC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is GWASTGMBCCIIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14(2)13-23-18-12-8-7-11-17(18)22-19(23)15(3)21-20(24)16-9-5-4-6-10-16/h4-12,15H,1,13H2,2-3H3,(H,21,24).
What are the key properties of N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide?
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 319.41 g/mol, XLogP of 4.10, 5 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]benzamide is sourced from PubChem (CID 4753696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).