1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole

C28H22N2O2 — CID 162647481

IUPAC1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(CC=C(c3cc4ccccc4o3)c3cc4ccccc4o3)c2cc1C
InChIInChI=1S/C28H22N2O2/c1-18-13-23-24(14-19(18)2)30(17-29-23)12-11-22(27-15-20-7-3-5-9-25(20)31-27)28-16-21-8-4-6-10-26(21)32-28/h3-11,13-17H,12H2,1-2H3
InChIKeyPPHIGJROJLVZKC-UHFFFAOYSA-N
MW418.50 g/mol
LogP7.28
Rot. Bonds4

About 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole

1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole (PubChem CID 162647481) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole
PubChem CID162647481
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Name1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(CC=C(c3cc4ccccc4o3)c3cc4ccccc4o3)c2cc1C
InChIInChI=1S/C28H22N2O2/c1-18-13-23-24(14-19(18)2)30(17-29-23)12-11-22(27-15-20-7-3-5-9-25(20)31-27)28-16-21-8-4-6-10-26(21)32-28/h3-11,13-17H,12H2,1-2H3
InChIKeyPPHIGJROJLVZKC-UHFFFAOYSA-N
XLogP7.28
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 57.28
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]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole (CID 162647481) is 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole is Cc1cc2ncn(CC=C(c3cc4ccccc4o3)c3cc4ccccc4o3)c2cc1C.
What is the InChIKey of 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole?
The InChIKey is PPHIGJROJLVZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-18-13-23-24(14-19(18)2)30(17-29-23)12-11-22(27-15-20-7-3-5-9-25(20)31-27)28-16-21-8-4-6-10-26(21)32-28/h3-11,13-17H,12H2,1-2H3.
What are the key properties of 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole?
1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazole has a molecular weight of 418.50 g/mol, XLogP of 7.28, 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]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 162647481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).