1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole

C30H30N4 — CID 58780374

IUPAC1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole
SMILESc1ccc(Cn2c(CN3CCN(Cc4cccc5ccccc45)CC3)nc3ccccc32)cc1
InChIInChI=1S/C30H30N4/c1-2-9-24(10-3-1)21-34-29-16-7-6-15-28(29)31-30(34)23-33-19-17-32(18-20-33)22-26-13-8-12-25-11-4-5-14-27(25)26/h1-16H,17-23H2
InChIKeyJVZIVTJRVJCVRS-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.56
Rot. Bonds6

About 1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole

1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole (PubChem CID 58780374) has the molecular formula C30H30N4 and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole
PubChem CID58780374
Molecular FormulaC30H30N4
Molecular Weight446.60 g/mol
Exact Mass446.25
IUPAC Name1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole
SMILESc1ccc(Cn2c(CN3CCN(Cc4cccc5ccccc45)CC3)nc3ccccc32)cc1
InChIInChI=1S/C30H30N4/c1-2-9-24(10-3-1)21-34-29-16-7-6-15-28(29)31-30(34)23-33-19-17-32(18-20-33)22-26-13-8-12-25-11-4-5-14-27(25)26/h1-16H,17-23H2
InChIKeyJVZIVTJRVJCVRS-UHFFFAOYSA-N
XLogP5.56
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
4-[(1-benzylbenzimidazol-2-yl)methyl]piperazine-1-carbaldehyde
CID 90040131
1-benzyl-2-[[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]benzimidazole
CID 139721542
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
1-[(2-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90664622
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
1-[(4-methylphenyl)methyl]-2-[(3,3,4,4-tetradeuteriopyrrolidin-1-yl)methyl]benzimidazole
CID 87065826
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998
1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172151
1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
CID 54195084

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole (CID 58780374) is 1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole is c1ccc(Cn2c(CN3CCN(Cc4cccc5ccccc45)CC3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole?
The InChIKey is JVZIVTJRVJCVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4/c1-2-9-24(10-3-1)21-34-29-16-7-6-15-28(29)31-30(34)23-33-19-17-32(18-20-33)22-26-13-8-12-25-11-4-5-14-27(25)26/h1-16H,17-23H2.
What are the key properties of 1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole?
1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole has a molecular weight of 446.60 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 58780374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).