N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide

C22H27N3O2 — CID 16980702

IUPACN-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
SMILESCCC(=O)NCCCc1nc2ccccc2n1CCOc1ccccc1C
InChIInChI=1S/C22H27N3O2/c1-3-22(26)23-14-8-13-21-24-18-10-5-6-11-19(18)25(21)15-16-27-20-12-7-4-9-17(20)2/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,23,26)
InChIKeyWPFBNFAXWQWMQV-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.88
Rot. Bonds9

About N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide

N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide (PubChem CID 16980702) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
PubChem CID16980702
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
SMILESCCC(=O)NCCCc1nc2ccccc2n1CCOc1ccccc1C
InChIInChI=1S/C22H27N3O2/c1-3-22(26)23-14-8-13-21-24-18-10-5-6-11-19(18)25(21)15-16-27-20-12-7-4-9-17(20)2/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,23,26)
InChIKeyWPFBNFAXWQWMQV-UHFFFAOYSA-N
XLogP3.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981657
2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16981324
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988030
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988024
2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16985556
N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980755
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
CID 16980760
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966223
N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988210
2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993692
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980720
2-(4-methoxyphenyl)-N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985611

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide?
The IUPAC name of N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide (CID 16980702) is N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide.
What is the SMILES notation for N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide?
The canonical SMILES for N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide is CCC(=O)NCCCc1nc2ccccc2n1CCOc1ccccc1C.
What is the InChIKey of N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide?
The InChIKey is WPFBNFAXWQWMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-22(26)23-14-8-13-21-24-18-10-5-6-11-19(18)25(21)15-16-27-20-12-7-4-9-17(20)2/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,23,26).
What are the key properties of N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide?
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide has a molecular weight of 365.48 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide is sourced from PubChem (CID 16980702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).