N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

C26H24N4O3 — CID 60532359

IUPACN-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESN#CCCCOc1cccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C26H24N4O3/c27-15-6-7-16-32-22-12-8-9-20(17-22)28-26(31)18-30-24-14-5-4-13-23(24)29-25(30)19-33-21-10-2-1-3-11-21/h1-5,8-14,17H,6-7,16,18-19H2,(H,28,31)
InChIKeySPBWIPDYDBZGSM-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.94
Rot. Bonds10

About N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 60532359) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
PubChem CID60532359
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESN#CCCCOc1cccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C26H24N4O3/c27-15-6-7-16-32-22-12-8-9-20(17-22)28-26(31)18-30-24-14-5-4-13-23(24)29-25(30)19-33-21-10-2-1-3-11-21/h1-5,8-14,17H,6-7,16,18-19H2,(H,28,31)
InChIKeySPBWIPDYDBZGSM-UHFFFAOYSA-N
XLogP4.94
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17031925
N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031971
N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032304
4-[2-(phenoxymethyl)benzimidazol-1-yl]butanenitrile
CID 82150424
N-(6-methoxy-3-pyridinyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 8001739
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 26124824
N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55879347
N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 52698958

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (CID 60532359) is N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is N#CCCCOc1cccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is SPBWIPDYDBZGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c27-15-6-7-16-32-22-12-8-9-20(17-22)28-26(31)18-30-24-14-5-4-13-23(24)29-25(30)19-33-21-10-2-1-3-11-21/h1-5,8-14,17H,6-7,16,18-19H2,(H,28,31).
What are the key properties of N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 440.50 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 60532359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).