1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole

C19H22N4 — CID 10614626

IUPAC1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole
SMILESCc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1
InChIInChI=1S/C19H22N4/c1-15-7-8-18-17(13-15)21-19(22-11-9-20-10-12-22)23(18)14-16-5-3-2-4-6-16/h2-8,13,20H,9-12,14H2,1H3
InChIKeyVEFKMPXOOGXXSQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.80
Rot. Bonds3

About 1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole

1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole (PubChem CID 10614626) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole
PubChem CID10614626
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole
SMILESCc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1
InChIInChI=1S/C19H22N4/c1-15-7-8-18-17(13-15)21-19(22-11-9-20-10-12-22)23(18)14-16-5-3-2-4-6-16/h2-8,13,20H,9-12,14H2,1H3
InChIKeyVEFKMPXOOGXXSQ-UHFFFAOYSA-N
XLogP2.80
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole (CID 10614626) is 1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole is Cc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole?
The InChIKey is VEFKMPXOOGXXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-15-7-8-18-17(13-15)21-19(22-11-9-20-10-12-22)23(18)14-16-5-3-2-4-6-16/h2-8,13,20H,9-12,14H2,1H3.
What are the key properties of 1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole?
1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole has a molecular weight of 306.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-2-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 10614626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).