2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole

C19H22N4O — CID 3824948

IUPAC2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCOc1cccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1
InChIInChI=1S/C19H22N4O/c1-22-8-10-23(11-9-22)15-6-7-17-18(13-15)21-19(20-17)14-4-3-5-16(12-14)24-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,21)
InChIKeyHMMUUODVUCKTAH-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.99
Rot. Bonds3

About 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole

2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 3824948) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
PubChem CID3824948
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCOc1cccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1
InChIInChI=1S/C19H22N4O/c1-22-8-10-23(11-9-22)15-6-7-17-18(13-15)21-19(20-17)14-4-3-5-16(12-14)24-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,21)
InChIKeyHMMUUODVUCKTAH-UHFFFAOYSA-N
XLogP2.99
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (CID 3824948) is 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole is COc1cccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is HMMUUODVUCKTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22-8-10-23(11-9-22)15-6-7-17-18(13-15)21-19(20-17)14-4-3-5-16(12-14)24-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 322.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 3824948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).