2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole

C19H22N4O — CID 667675

IUPAC2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESCOc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C19H22N4O/c1-24-16-8-6-15(7-9-16)23-12-10-22(11-13-23)14-19-20-17-4-2-3-5-18(17)21-19/h2-9H,10-14H2,1H3,(H,20,21)
InChIKeyPLZGMXJBKUDIRE-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.89
Rot. Bonds4

About 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole

2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 667675) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID667675
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESCOc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C19H22N4O/c1-24-16-8-6-15(7-9-16)23-12-10-22(11-13-23)14-19-20-17-4-2-3-5-18(17)21-19/h2-9H,10-14H2,1H3,(H,20,21)
InChIKeyPLZGMXJBKUDIRE-UHFFFAOYSA-N
XLogP2.89
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole (CID 667675) is 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole is COc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is PLZGMXJBKUDIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-24-16-8-6-15(7-9-16)23-12-10-22(11-13-23)14-19-20-17-4-2-3-5-18(17)21-19/h2-9H,10-14H2,1H3,(H,20,21).
What are the key properties of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 322.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 667675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).