2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C25H39N5O — CID 45199680

IUPAC2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1cccc(-n2ccnc2CN2CCN(C3CCN(C(C)C)CC3)C(CCO)C2)c1
InChIInChI=1S/C25H39N5O/c1-20(2)28-11-7-22(8-12-28)29-15-14-27(18-24(29)9-16-31)19-25-26-10-13-30(25)23-6-4-5-21(3)17-23/h4-6,10,13,17,20,22,24,31H,7-9,11-12,14-16,18-19H2,1-3H3
InChIKeyNASBGNSXADARDE-UHFFFAOYSA-N
MW425.62 g/mol
LogP2.92
Rot. Bonds7

About 2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 45199680) has the molecular formula C25H39N5O and a molecular weight of 425.62 g/mol. Its IUPAC name is 2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID45199680
Molecular FormulaC25H39N5O
Molecular Weight425.62 g/mol
Exact Mass425.32
IUPAC Name2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1cccc(-n2ccnc2CN2CCN(C3CCN(C(C)C)CC3)C(CCO)C2)c1
InChIInChI=1S/C25H39N5O/c1-20(2)28-11-7-22(8-12-28)29-15-14-27(18-24(29)9-16-31)19-25-26-10-13-30(25)23-6-4-5-21(3)17-23/h4-6,10,13,17,20,22,24,31H,7-9,11-12,14-16,18-19H2,1-3H3
InChIKeyNASBGNSXADARDE-UHFFFAOYSA-N
XLogP2.92
TPSA47.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 45199680) is 2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is Cc1cccc(-n2ccnc2CN2CCN(C3CCN(C(C)C)CC3)C(CCO)C2)c1.
What is the InChIKey of 2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is NASBGNSXADARDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O/c1-20(2)28-11-7-22(8-12-28)29-15-14-27(18-24(29)9-16-31)19-25-26-10-13-30(25)23-6-4-5-21(3)17-23/h4-6,10,13,17,20,22,24,31H,7-9,11-12,14-16,18-19H2,1-3H3.
What are the key properties of 2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 425.62 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45199680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).