N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

C28H30N4O3 — CID 16964315

IUPACN-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESC/C=C/c1ccc(OCCCn2c(CCNC(=O)c3cccnc3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C28H30N4O3/c1-3-8-21-12-13-25(26(19-21)34-2)35-18-7-17-32-24-11-5-4-10-23(24)31-27(32)14-16-30-28(33)22-9-6-15-29-20-22/h3-6,8-13,15,19-20H,7,14,16-18H2,1-2H3,(H,30,33)/b8-3+
InChIKeyWOSYFEGLJGEBLP-FPYGCLRLSA-N
MW470.57 g/mol
LogP4.91
Rot. Bonds11

About N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 16964315) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
PubChem CID16964315
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESC/C=C/c1ccc(OCCCn2c(CCNC(=O)c3cccnc3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C28H30N4O3/c1-3-8-21-12-13-25(26(19-21)34-2)35-18-7-17-32-24-11-5-4-10-23(24)31-27(32)14-16-30-28(33)22-9-6-15-29-20-22/h3-6,8-13,15,19-20H,7,14,16-18H2,1-2H3,(H,30,33)/b8-3+
InChIKeyWOSYFEGLJGEBLP-FPYGCLRLSA-N
XLogP4.91
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.91
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

3,4-dimethoxy-N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976902
3-methoxy-N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978171
N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966450
3,4-dimethoxy-N-[5-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990974
4-chloro-N-[3-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984635
N-[1-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963829
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964288
N-[5-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991946
4-fluoro-N-[3-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]propyl]benzamide
CID 16984514
3,4,5-trimethoxy-N-[5-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991165
N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974492
2-(2,5-dimethylphenoxy)-N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978684

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (CID 16964315) is N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is C/C=C/c1ccc(OCCCn2c(CCNC(=O)c3cccnc3)nc3ccccc32)c(OC)c1.
What is the InChIKey of N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is WOSYFEGLJGEBLP-FPYGCLRLSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-3-8-21-12-13-25(26(19-21)34-2)35-18-7-17-32-24-11-5-4-10-23(24)31-27(32)14-16-30-28(33)22-9-6-15-29-20-22/h3-6,8-13,15,19-20H,7,14,16-18H2,1-2H3,(H,30,33)/b8-3+.
What are the key properties of N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).