[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone

C20H20ClN5O — CID 1472425

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone
SMILESCc1cccc(-n2cnc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)n1
InChIInChI=1S/C20H20ClN5O/c1-15-4-2-7-19(23-15)26-13-18(22-14-26)20(27)25-10-8-24(9-11-25)17-6-3-5-16(21)12-17/h2-7,12-14H,8-11H2,1H3
InChIKeyNHOQTUIIMWOOTH-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.19
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone (PubChem CID 1472425) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone
PubChem CID1472425
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone
SMILESCc1cccc(-n2cnc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)n1
InChIInChI=1S/C20H20ClN5O/c1-15-4-2-7-19(23-15)26-13-18(22-14-26)20(27)25-10-8-24(9-11-25)17-6-3-5-16(21)12-17/h2-7,12-14H,8-11H2,1H3
InChIKeyNHOQTUIIMWOOTH-UHFFFAOYSA-N
XLogP3.19
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone (CID 1472425) is [4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone is Cc1cccc(-n2cnc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)n1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone?
The InChIKey is NHOQTUIIMWOOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-15-4-2-7-19(23-15)26-13-18(22-14-26)20(27)25-10-8-24(9-11-25)17-6-3-5-16(21)12-17/h2-7,12-14H,8-11H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone has a molecular weight of 381.87 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone is sourced from PubChem (CID 1472425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).