N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine

C22H25N7 — CID 141181194

IUPACN-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine
SMILESCN1CCN(c2ccc3nc(Nc4nccn4Cc4ccccc4)[nH]c3c2)CC1
InChIInChI=1S/C22H25N7/c1-27-11-13-28(14-12-27)18-7-8-19-20(15-18)25-21(24-19)26-22-23-9-10-29(22)16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H2,23,24,25,26)
InChIKeyLAWFICGNUVUILA-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.30
Rot. Bonds5

About N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine

N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine (PubChem CID 141181194) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine
PubChem CID141181194
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC NameN-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine
SMILESCN1CCN(c2ccc3nc(Nc4nccn4Cc4ccccc4)[nH]c3c2)CC1
InChIInChI=1S/C22H25N7/c1-27-11-13-28(14-12-27)18-7-8-19-20(15-18)25-21(24-19)26-22-23-9-10-29(22)16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H2,23,24,25,26)
InChIKeyLAWFICGNUVUILA-UHFFFAOYSA-N
XLogP3.30
TPSA65.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine (CID 141181194) is N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine is CN1CCN(c2ccc3nc(Nc4nccn4Cc4ccccc4)[nH]c3c2)CC1.
What is the InChIKey of N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine?
The InChIKey is LAWFICGNUVUILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-27-11-13-28(14-12-27)18-7-8-19-20(15-18)25-21(24-19)26-22-23-9-10-29(22)16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H2,23,24,25,26).
What are the key properties of N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine?
N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine has a molecular weight of 387.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 141181194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).