ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate

C19H19N3O2 — CID 4109942

IUPACethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2ccc(C=Cc3ccc(C)cc3)cc2[nH]1
InChIInChI=1S/C19H19N3O2/c1-3-24-19(23)22-18-20-16-11-10-15(12-17(16)21-18)9-8-14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3,(H2,20,21,22,23)
InChIKeyNBMGTQFOSCIVQI-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.61
Rot. Bonds4

About ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate

ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate (PubChem CID 4109942) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate
PubChem CID4109942
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Nameethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2ccc(C=Cc3ccc(C)cc3)cc2[nH]1
InChIInChI=1S/C19H19N3O2/c1-3-24-19(23)22-18-20-16-11-10-15(12-17(16)21-18)9-8-14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3,(H2,20,21,22,23)
InChIKeyNBMGTQFOSCIVQI-UHFFFAOYSA-N
XLogP4.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate (CID 4109942) is ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate is CCOC(=O)Nc1nc2ccc(C=Cc3ccc(C)cc3)cc2[nH]1.
What is the InChIKey of ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate?
The InChIKey is NBMGTQFOSCIVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-24-19(23)22-18-20-16-11-10-15(12-17(16)21-18)9-8-14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3,(H2,20,21,22,23).
What are the key properties of ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate?
ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate has a molecular weight of 321.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 4109942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).