4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole

C24H28N6 — CID 161146250

IUPAC4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole
SMILESCc1ccc(Cn2c(N3CCNCC3)nc3c(-c4cc(C)n(C)n4)cccc32)cc1
InChIInChI=1S/C24H28N6/c1-17-7-9-19(10-8-17)16-30-22-6-4-5-20(21-15-18(2)28(3)27-21)23(22)26-24(30)29-13-11-25-12-14-29/h4-10,15,25H,11-14,16H2,1-3H3
InChIKeyUOBWXDMKMHTDIP-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.51
Rot. Bonds4

About 4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole

4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole (PubChem CID 161146250) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole
PubChem CID161146250
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC Name4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole
SMILESCc1ccc(Cn2c(N3CCNCC3)nc3c(-c4cc(C)n(C)n4)cccc32)cc1
InChIInChI=1S/C24H28N6/c1-17-7-9-19(10-8-17)16-30-22-6-4-5-20(21-15-18(2)28(3)27-21)23(22)26-24(30)29-13-11-25-12-14-29/h4-10,15,25H,11-14,16H2,1-3H3
InChIKeyUOBWXDMKMHTDIP-UHFFFAOYSA-N
XLogP3.51
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole
CID 153290712
4-bromo-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole
CID 151900391
1-benzyl-4,5,6,7-tetrabromo-2-piperazin-1-ylbenzimidazole
CID 52935608
4-bromo-1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
CID 152508100
1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine
CID 151812576
1-[(3-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)benzimidazole
CID 71646483
6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-naphthalen-1-ylpyrazol-3-yl)-2-piperazin-1-ylbenzimidazole
CID 153290673
1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole
CID 19957526
1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
CID 153290721
2-(1,4-diazepan-1-yl)-1-[2-(dimethylamino)ethyl]benzimidazole-4-carboxamide
CID 18428154
[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazol-4-yl]methanol
CID 153290555
1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 126720421

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole?
The IUPAC name of 4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole (CID 161146250) is 4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole?
The canonical SMILES for 4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole is Cc1ccc(Cn2c(N3CCNCC3)nc3c(-c4cc(C)n(C)n4)cccc32)cc1.
What is the InChIKey of 4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole?
The InChIKey is UOBWXDMKMHTDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-17-7-9-19(10-8-17)16-30-22-6-4-5-20(21-15-18(2)28(3)27-21)23(22)26-24(30)29-13-11-25-12-14-29/h4-10,15,25H,11-14,16H2,1-3H3.
What are the key properties of 4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole?
4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole has a molecular weight of 400.53 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 161146250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).