(4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone

C20H22N4O — CID 6487925

IUPAC(4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2[nH]1
InChIInChI=1S/C20H22N4O/c1-15-21-18-8-7-17(13-19(18)22-15)20(25)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,22)
InChIKeyXYSVIVPHPSBMLI-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.83
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone

(4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone (PubChem CID 6487925) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone
PubChem CID6487925
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2[nH]1
InChIInChI=1S/C20H22N4O/c1-15-21-18-8-7-17(13-19(18)22-15)20(25)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,22)
InChIKeyXYSVIVPHPSBMLI-UHFFFAOYSA-N
XLogP2.83
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.83
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)-(2-methyl-3H-benzimidazol-5-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone (CID 6487925) is (4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone is Cc1nc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2[nH]1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone?
The InChIKey is XYSVIVPHPSBMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-21-18-8-7-17(13-19(18)22-15)20(25)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,22).
What are the key properties of (4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone?
(4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(2-methyl-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 6487925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).