2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole

C21H20N2O — CID 6917745

IUPAC2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole
SMILESCOc1ccc(-c2nc3c4ccccc4ccc3n2C(C)C)cc1
InChIInChI=1S/C21H20N2O/c1-14(2)23-19-13-10-15-6-4-5-7-18(15)20(19)22-21(23)16-8-11-17(24-3)12-9-16/h4-14H,1-3H3
InChIKeyXVDXNSRMHBAVAX-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.45
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole

2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole (PubChem CID 6917745) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole
PubChem CID6917745
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole
SMILESCOc1ccc(-c2nc3c4ccccc4ccc3n2C(C)C)cc1
InChIInChI=1S/C21H20N2O/c1-14(2)23-19-13-10-15-6-4-5-7-18(15)20(19)22-21(23)16-8-11-17(24-3)12-9-16/h4-14H,1-3H3
InChIKeyXVDXNSRMHBAVAX-UHFFFAOYSA-N
XLogP5.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole (CID 6917745) is 2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole is COc1ccc(-c2nc3c4ccccc4ccc3n2C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole?
The InChIKey is XVDXNSRMHBAVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-14(2)23-19-13-10-15-6-4-5-7-18(15)20(19)22-21(23)16-8-11-17(24-3)12-9-16/h4-14H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole?
2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole has a molecular weight of 316.40 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-propan-2-ylbenzo[e]benzimidazole is sourced from PubChem (CID 6917745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).