(4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone

C15H19N5O — CID 1472420

IUPAC(4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone
SMILESCc1cccc(-n2cnc(C(=O)N3CCN(C)CC3)c2)n1
InChIInChI=1S/C15H19N5O/c1-12-4-3-5-14(17-12)20-10-13(16-11-20)15(21)19-8-6-18(2)7-9-19/h3-5,10-11H,6-9H2,1-2H3
InChIKeyWVPFAHHTFZYNBK-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.96
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone

(4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone (PubChem CID 1472420) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone
PubChem CID1472420
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone
SMILESCc1cccc(-n2cnc(C(=O)N3CCN(C)CC3)c2)n1
InChIInChI=1S/C15H19N5O/c1-12-4-3-5-14(17-12)20-10-13(16-11-20)15(21)19-8-6-18(2)7-9-19/h3-5,10-11H,6-9H2,1-2H3
InChIKeyWVPFAHHTFZYNBK-UHFFFAOYSA-N
XLogP0.96
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone (CID 1472420) is (4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone is Cc1cccc(-n2cnc(C(=O)N3CCN(C)CC3)c2)n1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone?
The InChIKey is WVPFAHHTFZYNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-12-4-3-5-14(17-12)20-10-13(16-11-20)15(21)19-8-6-18(2)7-9-19/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone?
(4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone has a molecular weight of 285.35 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone is sourced from PubChem (CID 1472420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).