1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole

C19H22N4O — CID 10543852

IUPAC1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole
SMILESCOc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C19H22N4O/c1-24-16-7-8-17-18(13-16)23(14-15-5-3-2-4-6-15)19(21-17)22-11-9-20-10-12-22/h2-8,13,20H,9-12,14H2,1H3
InChIKeyFWYSFXFCGNZNMX-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.50
Rot. Bonds4

About 1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole

1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole (PubChem CID 10543852) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole
PubChem CID10543852
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole
SMILESCOc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C19H22N4O/c1-24-16-7-8-17-18(13-16)23(14-15-5-3-2-4-6-15)19(21-17)22-11-9-20-10-12-22/h2-8,13,20H,9-12,14H2,1H3
InChIKeyFWYSFXFCGNZNMX-UHFFFAOYSA-N
XLogP2.50
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole (CID 10543852) is 1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole is COc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole?
The InChIKey is FWYSFXFCGNZNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-24-16-7-8-17-18(13-16)23(14-15-5-3-2-4-6-15)19(21-17)22-11-9-20-10-12-22/h2-8,13,20H,9-12,14H2,1H3.
What are the key properties of 1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole?
1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole has a molecular weight of 322.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 10543852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).