2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole

C28H29N3 — CID 10454082

IUPAC2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole
SMILESC(=C(c1ccccc1)c1ccccc1)c1nc2ccccc2n1CCN1CCCCC1
InChIInChI=1S/C28H29N3/c1-4-12-23(13-5-1)25(24-14-6-2-7-15-24)22-28-29-26-16-8-9-17-27(26)31(28)21-20-30-18-10-3-11-19-30/h1-2,4-9,12-17,22H,3,10-11,18-21H2
InChIKeyDQXHTBMNZGYLMP-UHFFFAOYSA-N
MW407.56 g/mol
LogP6.11
Rot. Bonds6

About 2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole

2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole (PubChem CID 10454082) has the molecular formula C28H29N3 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole
PubChem CID10454082
Molecular FormulaC28H29N3
Molecular Weight407.56 g/mol
Exact Mass407.24
IUPAC Name2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole
SMILESC(=C(c1ccccc1)c1ccccc1)c1nc2ccccc2n1CCN1CCCCC1
InChIInChI=1S/C28H29N3/c1-4-12-23(13-5-1)25(24-14-6-2-7-15-24)22-28-29-26-16-8-9-17-27(26)31(28)21-20-30-18-10-3-11-19-30/h1-2,4-9,12-17,22H,3,10-11,18-21H2
InChIKeyDQXHTBMNZGYLMP-UHFFFAOYSA-N
XLogP6.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole?
The IUPAC name of 2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole (CID 10454082) is 2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole.
What is the SMILES notation for 2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole?
The canonical SMILES for 2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole is C(=C(c1ccccc1)c1ccccc1)c1nc2ccccc2n1CCN1CCCCC1.
What is the InChIKey of 2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole?
The InChIKey is DQXHTBMNZGYLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3/c1-4-12-23(13-5-1)25(24-14-6-2-7-15-24)22-28-29-26-16-8-9-17-27(26)31(28)21-20-30-18-10-3-11-19-30/h1-2,4-9,12-17,22H,3,10-11,18-21H2.
What are the key properties of 2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole?
2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole has a molecular weight of 407.56 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole is sourced from PubChem (CID 10454082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).