(1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone

C21H21ClN4O — CID 74983356

IUPAC(1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)cn1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H21ClN4O/c22-18-8-4-5-9-20(18)25-10-12-26(13-11-25)21(27)19-15-24(16-23-19)14-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyITFKVPSANNTLSY-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.55
Rot. Bonds4

About (1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone

(1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 74983356) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is (1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
PubChem CID74983356
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name(1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)cn1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H21ClN4O/c22-18-8-4-5-9-20(18)25-10-12-26(13-11-25)21(27)19-15-24(16-23-19)14-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyITFKVPSANNTLSY-UHFFFAOYSA-N
XLogP3.55
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone (CID 74983356) is (1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone is O=C(c1cn(Cc2ccccc2)cn1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is ITFKVPSANNTLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-18-8-4-5-9-20(18)25-10-12-26(13-11-25)21(27)19-15-24(16-23-19)14-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2.
What are the key properties of (1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
(1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 380.88 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 74983356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).