N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide

C24H31N3O — CID 16970435

IUPACN-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
SMILESCCCCCCn1c(C(C)NC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H31N3O/c1-3-4-5-11-18-27-22-15-10-9-14-21(22)26-24(27)19(2)25-23(28)17-16-20-12-7-6-8-13-20/h6-10,12-15,19H,3-5,11,16-18H2,1-2H3,(H,25,28)
InChIKeyIATGBYYFDGQESZ-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.43
Rot. Bonds10

About N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide

N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide (PubChem CID 16970435) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
PubChem CID16970435
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
SMILESCCCCCCn1c(C(C)NC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H31N3O/c1-3-4-5-11-18-27-22-15-10-9-14-21(22)26-24(27)19(2)25-23(28)17-16-20-12-7-6-8-13-20/h6-10,12-15,19H,3-5,11,16-18H2,1-2H3,(H,25,28)
InChIKeyIATGBYYFDGQESZ-UHFFFAOYSA-N
XLogP5.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971563
N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971565
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970511
2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16972683
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969198
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
CID 16970596
N-[(1S)-1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 7082664

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide (CID 16970435) is N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide is CCCCCCn1c(C(C)NC(=O)CCc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide?
The InChIKey is IATGBYYFDGQESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-3-4-5-11-18-27-22-15-10-9-14-21(22)26-24(27)19(2)25-23(28)17-16-20-12-7-6-8-13-20/h6-10,12-15,19H,3-5,11,16-18H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide?
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide has a molecular weight of 377.53 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 16970435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).