2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole

C20H24N4 — CID 11301655

IUPAC2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESCc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1C
InChIInChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
InChIKeySAQMCVDGOIRQTC-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.50
Rot. Bonds3

About 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole

2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 11301655) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID11301655
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESCc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1C
InChIInChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
InChIKeySAQMCVDGOIRQTC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

Glasdegib
CID 25166913
Lerisetron
CID 65997
Bendazol
CID 12132
5,6-Dimethylbenzimidazole
CID 675
Mavorixafor
CID 11256587
2-Phenylbenzimidazole
CID 12855
Toreforant
CID 23650961
5-Methylbenzimidazole
CID 11979
Tecastemizole
CID 123618
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
CID 24260

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole (CID 11301655) is 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole is Cc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1C.
What is the InChIKey of 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is SAQMCVDGOIRQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22).
What are the key properties of 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
2-[[4-(3,4-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-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 11301655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).