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

C19H27N3O — CID 16969002

IUPAC2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
SMILESC=C(C)Cn1c(C(C)NC(=O)C(CC)CC)nc2ccccc21
InChIInChI=1S/C19H27N3O/c1-6-15(7-2)19(23)20-14(5)18-21-16-10-8-9-11-17(16)22(18)12-13(3)4/h8-11,14-15H,3,6-7,12H2,1-2,4-5H3,(H,20,23)
InChIKeyPGTNVHIGECCIAQ-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.23
Rot. Bonds7

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

2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16969002) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
PubChem CID16969002
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
SMILESC=C(C)Cn1c(C(C)NC(=O)C(CC)CC)nc2ccccc21
InChIInChI=1S/C19H27N3O/c1-6-15(7-2)19(23)20-14(5)18-21-16-10-8-9-11-17(16)22(18)12-13(3)4/h8-11,14-15H,3,6-7,12H2,1-2,4-5H3,(H,20,23)
InChIKeyPGTNVHIGECCIAQ-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.23
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-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972514
2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969046
2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973153
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971716
2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969055
N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16969053
2-ethyl-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969122
2-ethyl-N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969072
N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970232

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide (CID 16969002) is 2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide is C=C(C)Cn1c(C(C)NC(=O)C(CC)CC)nc2ccccc21.
What is the InChIKey of 2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is PGTNVHIGECCIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-6-15(7-2)19(23)20-14(5)18-21-16-10-8-9-11-17(16)22(18)12-13(3)4/h8-11,14-15H,3,6-7,12H2,1-2,4-5H3,(H,20,23).
What are the key properties of 2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide?
2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 313.45 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16969002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).