1-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole

C19H22N4O — CID 10336265

IUPAC1-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole
SMILESCOc1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H22N4O/c1-24-16-8-6-15(7-9-16)14-23-18-5-3-2-4-17(18)21-19(23)22-12-10-20-11-13-22/h2-9,20H,10-14H2,1H3
InChIKeyGALAKJYLTKKOBQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.50
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole

1-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole (PubChem CID 10336265) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole
PubChem CID10336265
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole
SMILESCOc1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H22N4O/c1-24-16-8-6-15(7-9-16)14-23-18-5-3-2-4-17(18)21-19(23)22-12-10-20-11-13-22/h2-9,20H,10-14H2,1H3
InChIKeyGALAKJYLTKKOBQ-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-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole (CID 10336265) is 1-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole is COc1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole?
The InChIKey is GALAKJYLTKKOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-24-16-8-6-15(7-9-16)14-23-18-5-3-2-4-17(18)21-19(23)22-12-10-20-11-13-22/h2-9,20H,10-14H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole?
1-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 10336265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).