(3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

C22H23Cl2N5O — CID 10623145

IUPAC(3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ncc[nH]3)n2)CC1
InChIInChI=1S/C22H23Cl2N5O/c23-18-5-4-16(12-19(18)24)22(30)29-10-6-15(7-11-29)13-25-14-17-2-1-3-20(28-17)21-26-8-9-27-21/h1-5,8-9,12,15,25H,6-7,10-11,13-14H2,(H,26,27)
InChIKeyMFVMDLRHMCIQDH-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.42
Rot. Bonds6

About (3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10623145) has the molecular formula C22H23Cl2N5O and a molecular weight of 444.37 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10623145
Molecular FormulaC22H23Cl2N5O
Molecular Weight444.37 g/mol
Exact Mass443.13
IUPAC Name(3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ncc[nH]3)n2)CC1
InChIInChI=1S/C22H23Cl2N5O/c23-18-5-4-16(12-19(18)24)22(30)29-10-6-15(7-11-29)13-25-14-17-2-1-3-20(28-17)21-26-8-9-27-21/h1-5,8-9,12,15,25H,6-7,10-11,13-14H2,(H,26,27)
InChIKeyMFVMDLRHMCIQDH-UHFFFAOYSA-N
XLogP4.42
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (CID 10623145) is (3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ncc[nH]3)n2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is MFVMDLRHMCIQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O/c23-18-5-4-16(12-19(18)24)22(30)29-10-6-15(7-11-29)13-25-14-17-2-1-3-20(28-17)21-26-8-9-27-21/h1-5,8-9,12,15,25H,6-7,10-11,13-14H2,(H,26,27).
What are the key properties of (3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 444.37 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-[[[6-(1H-imidazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10623145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).