2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide

C24H31N3O — CID 16969046

IUPAC2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NC(C)c1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C24H31N3O/c1-4-20(5-2)24(28)25-18(3)23-26-21-15-9-10-16-22(21)27(23)17-11-14-19-12-7-6-8-13-19/h6-10,12-13,15-16,18,20H,4-5,11,14,17H2,1-3H3,(H,25,28)
InChIKeyBQWPLIBHGSADRK-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.28
Rot. Bonds9

About 2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide

2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16969046) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide
PubChem CID16969046
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NC(C)c1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C24H31N3O/c1-4-20(5-2)24(28)25-18(3)23-26-21-15-9-10-16-22(21)27(23)17-11-14-19-12-7-6-8-13-19/h6-10,12-13,15-16,18,20H,4-5,11,14,17H2,1-3H3,(H,25,28)
InChIKeyBQWPLIBHGSADRK-UHFFFAOYSA-N
XLogP5.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969198
2-ethyl-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969122
2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969002
4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967208
N-[1-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16969089
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
CID 16970435
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16969053
2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969055
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide (CID 16969046) is 2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide is CCC(CC)C(=O)NC(C)c1nc2ccccc2n1CCCc1ccccc1.
What is the InChIKey of 2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is BQWPLIBHGSADRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-4-20(5-2)24(28)25-18(3)23-26-21-15-9-10-16-22(21)27(23)17-11-14-19-12-7-6-8-13-19/h6-10,12-13,15-16,18,20H,4-5,11,14,17H2,1-3H3,(H,25,28).
What are the key properties of 2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide?
2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 377.53 g/mol, XLogP of 5.28, 9 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-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16969046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).