[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone

C20H22N4O — CID 24761108

IUPAC[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-15-7-9-16(10-8-15)19(25)23-11-13-24(14-12-23)20-21-17-5-3-4-6-18(17)22(20)2/h3-10H,11-14H2,1-2H3
InChIKeyAQJSBFUQMITTCS-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.84
Rot. Bonds2

About [4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone

[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 24761108) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID24761108
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-15-7-9-16(10-8-15)19(25)23-11-13-24(14-12-23)20-21-17-5-3-4-6-18(17)22(20)2/h3-10H,11-14H2,1-2H3
InChIKeyAQJSBFUQMITTCS-UHFFFAOYSA-N
XLogP2.84
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 24761108) is [4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc1.
What is the InChIKey of [4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is AQJSBFUQMITTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-7-9-16(10-8-15)19(25)23-11-13-24(14-12-23)20-21-17-5-3-4-6-18(17)22(20)2/h3-10H,11-14H2,1-2H3.
What are the key properties of [4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone?
[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 334.42 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 24761108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).