3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide

C27H27N3O3 — CID 17007945

IUPAC3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESC=CCc1ccccc1OCCn1c(CNC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C27H27N3O3/c1-3-9-20-10-4-7-15-25(20)33-17-16-30-24-14-6-5-13-23(24)29-26(30)19-28-27(31)21-11-8-12-22(18-21)32-2/h3-8,10-15,18H,1,9,16-17,19H2,2H3,(H,28,31)
InChIKeyRVPWOZCBYDVVGT-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.78
Rot. Bonds10

About 3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide

3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007945) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17007945
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESC=CCc1ccccc1OCCn1c(CNC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C27H27N3O3/c1-3-9-20-10-4-7-15-25(20)33-17-16-30-24-14-6-5-13-23(24)29-26(30)19-28-27(31)21-11-8-12-22(18-21)32-2/h3-8,10-15,18H,1,9,16-17,19H2,2H3,(H,28,31)
InChIKeyRVPWOZCBYDVVGT-UHFFFAOYSA-N
XLogP4.78
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[5-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990838
N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 17005933
4-fluoro-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008938
4-bromo-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17009251
4-chloro-N-[[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17009061
4-methoxy-N-[[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008749
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17008010
2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17006611
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17007958
3-methoxy-N-[[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008013
3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007901
3-bromo-N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990621

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (CID 17007945) is 3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is C=CCc1ccccc1OCCn1c(CNC(=O)c2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of 3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is RVPWOZCBYDVVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-3-9-20-10-4-7-15-25(20)33-17-16-30-24-14-6-5-13-23(24)29-26(30)19-28-27(31)21-11-8-12-22(18-21)32-2/h3-8,10-15,18H,1,9,16-17,19H2,2H3,(H,28,31).
What are the key properties of 3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).