2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide

C21H23N3O2 — CID 7025756

IUPAC2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide
SMILESC=CCn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-3-15-24-18-11-6-5-10-17(18)23-20(24)13-8-14-22-21(25)16-9-4-7-12-19(16)26-2/h3-7,9-12H,1,8,13-15H2,2H3,(H,22,25)
InChIKeyMKLTWEMMYUPIIE-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.59
Rot. Bonds8

About 2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide

2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide (PubChem CID 7025756) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide
PubChem CID7025756
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide
SMILESC=CCn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-3-15-24-18-11-6-5-10-17(18)23-20(24)13-8-14-22-21(25)16-9-4-7-12-19(16)26-2/h3-7,9-12H,1,8,13-15H2,2H3,(H,22,25)
InChIKeyMKLTWEMMYUPIIE-UHFFFAOYSA-N
XLogP3.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide (CID 7025756) is 2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide is C=CCn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21.
What is the InChIKey of 2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide?
The InChIKey is MKLTWEMMYUPIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-15-24-18-11-6-5-10-17(18)23-20(24)13-8-14-22-21(25)16-9-4-7-12-19(16)26-2/h3-7,9-12H,1,8,13-15H2,2H3,(H,22,25).
What are the key properties of 2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide?
2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 7025756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).