N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

C25H29N3O3 — CID 16975354

IUPACN-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESC=CCc1ccccc1OCCn1c(CCNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C25H29N3O3/c1-2-8-19-9-3-6-12-22(19)31-18-16-28-21-11-5-4-10-20(21)27-24(28)14-15-26-25(29)23-13-7-17-30-23/h2-6,9-12,23H,1,7-8,13-18H2,(H,26,29)
InChIKeyDPKPCBDDKYJVSH-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.68
Rot. Bonds10

About N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (PubChem CID 16975354) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
PubChem CID16975354
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESC=CCc1ccccc1OCCn1c(CCNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C25H29N3O3/c1-2-8-19-9-3-6-12-22(19)31-18-16-28-21-11-5-4-10-20(21)27-24(28)14-15-26-25(29)23-13-7-17-30-23/h2-6,9-12,23H,1,7-8,13-18H2,(H,26,29)
InChIKeyDPKPCBDDKYJVSH-UHFFFAOYSA-N
XLogP3.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.68
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

N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975348
N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980257
N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981827
N-[3-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981719
N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981874
N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975407
N-[5-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989189
N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975361
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981845
N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994501
N-[2-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975415
N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975412

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (CID 16975354) is N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is C=CCc1ccccc1OCCn1c(CCNC(=O)C2CCCO2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is DPKPCBDDKYJVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-2-8-19-9-3-6-12-22(19)31-18-16-28-21-11-5-4-10-20(21)27-24(28)14-15-26-25(29)23-13-7-17-30-23/h2-6,9-12,23H,1,7-8,13-18H2,(H,26,29).
What are the key properties of N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 16975354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).