(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone

C25H23ClN4O — CID 100580536

IUPAC(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H23ClN4O/c26-21-10-11-22-23(16-21)28-24(27-22)19-6-8-20(9-7-19)25(31)30-14-12-29(13-15-30)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,27,28)
InChIKeyWSYOVEGHPGVJEK-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.84
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone

(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone (PubChem CID 100580536) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
PubChem CID100580536
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H23ClN4O/c26-21-10-11-22-23(16-21)28-24(27-22)19-6-8-20(9-7-19)25(31)30-14-12-29(13-15-30)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,27,28)
InChIKeyWSYOVEGHPGVJEK-UHFFFAOYSA-N
XLogP4.84
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone (CID 100580536) is (4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone is O=C(c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone?
The InChIKey is WSYOVEGHPGVJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c26-21-10-11-22-23(16-21)28-24(27-22)19-6-8-20(9-7-19)25(31)30-14-12-29(13-15-30)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,27,28).
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone?
(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone has a molecular weight of 430.94 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 100580536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).