N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide

C29H33N3O3 — CID 16978331

IUPACN-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
SMILESCOc1ccccc1OCCCCn1c(CCNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C29H33N3O3/c1-34-26-15-7-8-16-27(26)35-22-10-9-21-32-25-14-6-5-13-24(25)31-28(32)19-20-30-29(33)18-17-23-11-3-2-4-12-23/h2-8,11-16H,9-10,17-22H2,1H3,(H,30,33)
InChIKeyNLSVXEYKCNQMCZ-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.20
Rot. Bonds13

About N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide

N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide (PubChem CID 16978331) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
PubChem CID16978331
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
SMILESCOc1ccccc1OCCCCn1c(CCNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C29H33N3O3/c1-34-26-15-7-8-16-27(26)35-22-10-9-21-32-25-14-6-5-13-24(25)31-28(32)19-20-30-29(33)18-17-23-11-3-2-4-12-23/h2-8,11-16H,9-10,17-22H2,1H3,(H,30,33)
InChIKeyNLSVXEYKCNQMCZ-UHFFFAOYSA-N
XLogP5.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978268
2-(3,4-dimethoxyphenyl)-N-[2-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979798
3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16978263
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992566
N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986093
N-[3-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986079
N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986077
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978316
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965962
3-phenyl-N-[3-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
CID 16986104
N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974492
N-[3-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986052

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide (CID 16978331) is N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide is COc1ccccc1OCCCCn1c(CCNC(=O)CCc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
The InChIKey is NLSVXEYKCNQMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-34-26-15-7-8-16-27(26)35-22-10-9-21-32-25-14-6-5-13-24(25)31-28(32)19-20-30-29(33)18-17-23-11-3-2-4-12-23/h2-8,11-16H,9-10,17-22H2,1H3,(H,30,33).
What are the key properties of N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide has a molecular weight of 471.60 g/mol, XLogP of 5.20, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 16978331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).