[5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone

C26H35N5O — CID 173292194

IUPAC[5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC1=C(c2cccc3ccccc23)N(C(=O)N2CCN(C)CC2)C(CC2CCNCC2)N1
InChIInChI=1S/C26H35N5O/c1-19-25(23-9-5-7-21-6-3-4-8-22(21)23)31(26(32)30-16-14-29(2)15-17-30)24(28-19)18-20-10-12-27-13-11-20/h3-9,20,24,27-28H,10-18H2,1-2H3
InChIKeyYAQPCMRHQZWPKM-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.52
Rot. Bonds3

About [5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone

[5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 173292194) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is [5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID173292194
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name[5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC1=C(c2cccc3ccccc23)N(C(=O)N2CCN(C)CC2)C(CC2CCNCC2)N1
InChIInChI=1S/C26H35N5O/c1-19-25(23-9-5-7-21-6-3-4-8-22(21)23)31(26(32)30-16-14-29(2)15-17-30)24(28-19)18-20-10-12-27-13-11-20/h3-9,20,24,27-28H,10-18H2,1-2H3
InChIKeyYAQPCMRHQZWPKM-UHFFFAOYSA-N
XLogP3.52
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 173292194) is [5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone is CC1=C(c2cccc3ccccc23)N(C(=O)N2CCN(C)CC2)C(CC2CCNCC2)N1.
What is the InChIKey of [5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YAQPCMRHQZWPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O/c1-19-25(23-9-5-7-21-6-3-4-8-22(21)23)31(26(32)30-16-14-29(2)15-17-30)24(28-19)18-20-10-12-27-13-11-20/h3-9,20,24,27-28H,10-18H2,1-2H3.
What are the key properties of [5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 433.60 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-naphthalen-1-yl-2-(piperidin-4-ylmethyl)-1,2-dihydroimidazol-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 173292194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).