1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole

C27H20N2O2 — CID 162671761

IUPAC1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CC=C(c1cc2ccccc2o1)c1cc2ccccc2o1
InChIInChI=1S/C27H20N2O2/c1-18-28-22-10-4-5-11-23(22)29(18)15-14-21(26-16-19-8-2-6-12-24(19)30-26)27-17-20-9-3-7-13-25(20)31-27/h2-14,16-17H,15H2,1H3
InChIKeyBIPIXMLDSNHDBA-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.97
Rot. Bonds4

About 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole

1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole (PubChem CID 162671761) has the molecular formula C27H20N2O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole
PubChem CID162671761
Molecular FormulaC27H20N2O2
Molecular Weight404.47 g/mol
Exact Mass404.15
IUPAC Name1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CC=C(c1cc2ccccc2o1)c1cc2ccccc2o1
InChIInChI=1S/C27H20N2O2/c1-18-28-22-10-4-5-11-23(22)29(18)15-14-21(26-16-19-8-2-6-12-24(19)30-26)27-17-20-9-3-7-13-25(20)31-27/h2-14,16-17H,15H2,1H3
InChIKeyBIPIXMLDSNHDBA-UHFFFAOYSA-N
XLogP6.97
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole?
The IUPAC name of 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole (CID 162671761) is 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1CC=C(c1cc2ccccc2o1)c1cc2ccccc2o1.
What is the InChIKey of 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole?
The InChIKey is BIPIXMLDSNHDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O2/c1-18-28-22-10-4-5-11-23(22)29(18)15-14-21(26-16-19-8-2-6-12-24(19)30-26)27-17-20-9-3-7-13-25(20)31-27/h2-14,16-17H,15H2,1H3.
What are the key properties of 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole?
1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole has a molecular weight of 404.47 g/mol, XLogP of 6.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazole is sourced from PubChem (CID 162671761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).