2-[(E)-2-phenylethenyl]-1-propylbenzimidazole

C18H18N2 — CID 5345855

IUPAC2-[(E)-2-phenylethenyl]-1-propylbenzimidazole
SMILESCCCn1c(/C=C/c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H18N2/c1-2-14-20-17-11-7-6-10-16(17)19-18(20)13-12-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3/b13-12+
InChIKeyYUKCGXNMEJUUPI-OUKQBFOZSA-N
MW262.36 g/mol
LogP4.62
Rot. Bonds4

About 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole

2-[(E)-2-phenylethenyl]-1-propylbenzimidazole (PubChem CID 5345855) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-1-propylbenzimidazole
PubChem CID5345855
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-[(E)-2-phenylethenyl]-1-propylbenzimidazole
SMILESCCCn1c(/C=C/c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H18N2/c1-2-14-20-17-11-7-6-10-16(17)19-18(20)13-12-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3/b13-12+
InChIKeyYUKCGXNMEJUUPI-OUKQBFOZSA-N
XLogP4.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole?
The IUPAC name of 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole (CID 5345855) is 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole is CCCn1c(/C=C/c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole?
The InChIKey is YUKCGXNMEJUUPI-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H18N2/c1-2-14-20-17-11-7-6-10-16(17)19-18(20)13-12-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3/b13-12+.
What are the key properties of 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole?
2-[(E)-2-phenylethenyl]-1-propylbenzimidazole has a molecular weight of 262.36 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole is sourced from PubChem (CID 5345855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).