2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole

C20H24N4 — CID 11738728

IUPAC2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESCc1ccc(C)c(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C20H24N4/c1-15-7-8-16(2)19(13-15)24-11-9-23(10-12-24)14-20-21-17-5-3-4-6-18(17)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
InChIKeyDUDRAXFTMQLSMY-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.50
Rot. Bonds3

About 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole

2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 11738728) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID11738728
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESCc1ccc(C)c(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C20H24N4/c1-15-7-8-16(2)19(13-15)24-11-9-23(10-12-24)14-20-21-17-5-3-4-6-18(17)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
InChIKeyDUDRAXFTMQLSMY-UHFFFAOYSA-N
XLogP3.50
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 75438688
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 11300847
5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133423864
4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine;hydrochloride
CID 2971877
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 51697276
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide
CID 171910596
N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 10156977

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole (CID 11738728) is 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole is Cc1ccc(C)c(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1.
What is the InChIKey of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is DUDRAXFTMQLSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-15-7-8-16(2)19(13-15)24-11-9-23(10-12-24)14-20-21-17-5-3-4-6-18(17)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22).
What are the key properties of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 320.44 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 11738728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).