1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole

C22H22N2 — CID 174457366

IUPAC1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole
SMILESCCN1CN(Cc2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C22H22N2/c1-2-23-17-24(22-11-7-6-10-21(22)23)16-18-12-14-20(15-13-18)19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3
InChIKeyBYLZCYOMPQQRHO-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.16
Rot. Bonds4

About 1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole

1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole (PubChem CID 174457366) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole.

Molecular Properties

Compound Name1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole
PubChem CID174457366
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole
SMILESCCN1CN(Cc2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C22H22N2/c1-2-23-17-24(22-11-7-6-10-21(22)23)16-18-12-14-20(15-13-18)19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3
InChIKeyBYLZCYOMPQQRHO-UHFFFAOYSA-N
XLogP5.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole?
The IUPAC name of 1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole (CID 174457366) is 1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole.
What is the SMILES notation for 1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole?
The canonical SMILES for 1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole is CCN1CN(Cc2ccc(-c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole?
The InChIKey is BYLZCYOMPQQRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2/c1-2-23-17-24(22-11-7-6-10-21(22)23)16-18-12-14-20(15-13-18)19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3.
What are the key properties of 1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole?
1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole has a molecular weight of 314.43 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole is sourced from PubChem (CID 174457366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).