(4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone

C28H30N4O2 — CID 164624770

IUPAC(4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3nc4ccccc4n3Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C28H30N4O2/c1-21-6-5-7-22(18-21)19-32-26-9-4-3-8-25(26)29-27(32)20-30-14-16-31(17-15-30)28(33)23-10-12-24(34-2)13-11-23/h3-13,18H,14-17,19-20H2,1-2H3
InChIKeyQDXNISYKIZAFRP-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.36
Rot. Bonds6

About (4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 164624770) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID164624770
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name(4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3nc4ccccc4n3Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C28H30N4O2/c1-21-6-5-7-22(18-21)19-32-26-9-4-3-8-25(26)29-27(32)20-30-14-16-31(17-15-30)28(33)23-10-12-24(34-2)13-11-23/h3-13,18H,14-17,19-20H2,1-2H3
InChIKeyQDXNISYKIZAFRP-UHFFFAOYSA-N
XLogP4.36
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone (CID 164624770) is (4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(Cc3nc4ccccc4n3Cc3cccc(C)c3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is QDXNISYKIZAFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-21-6-5-7-22(18-21)19-32-26-9-4-3-8-25(26)29-27(32)20-30-14-16-31(17-15-30)28(33)23-10-12-24(34-2)13-11-23/h3-13,18H,14-17,19-20H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 454.57 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 164624770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).