6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride

C23H27ClN8O — CID 137479232

IUPAC6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride
SMILESCOc1cc(-c2ccc3nc(Nc4cc(C(C)N5CCNCC5)ccn4)[nH]c3c2)ncn1.Cl
InChIInChI=1S/C23H26N8O.ClH/c1-15(31-9-7-24-8-10-31)16-5-6-25-21(12-16)30-23-28-18-4-3-17(11-20(18)29-23)19-13-22(32-2)27-14-26-19;/h3-6,11-15,24H,7-10H2,1-2H3,(H2,25,28,29,30);1H
InChIKeyHYISYGIZBSLABT-UHFFFAOYSA-N
MW466.98 g/mol
LogP3.56
Rot. Bonds6

About 6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride

6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride (PubChem CID 137479232) has the molecular formula C23H27ClN8O and a molecular weight of 466.98 g/mol. Its IUPAC name is 6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride
PubChem CID137479232
Molecular FormulaC23H27ClN8O
Molecular Weight466.98 g/mol
Exact Mass466.20
IUPAC Name6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride
SMILESCOc1cc(-c2ccc3nc(Nc4cc(C(C)N5CCNCC5)ccn4)[nH]c3c2)ncn1.Cl
InChIInChI=1S/C23H26N8O.ClH/c1-15(31-9-7-24-8-10-31)16-5-6-25-21(12-16)30-23-28-18-4-3-17(11-20(18)29-23)19-13-22(32-2)27-14-26-19;/h3-6,11-15,24H,7-10H2,1-2H3,(H2,25,28,29,30);1H
InChIKeyHYISYGIZBSLABT-UHFFFAOYSA-N
XLogP3.56
TPSA103.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.98
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride?
The IUPAC name of 6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride (CID 137479232) is 6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride.
What is the SMILES notation for 6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride?
The canonical SMILES for 6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride is COc1cc(-c2ccc3nc(Nc4cc(C(C)N5CCNCC5)ccn4)[nH]c3c2)ncn1.Cl.
What is the InChIKey of 6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride?
The InChIKey is HYISYGIZBSLABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O.ClH/c1-15(31-9-7-24-8-10-31)16-5-6-25-21(12-16)30-23-28-18-4-3-17(11-20(18)29-23)19-13-22(32-2)27-14-26-19;/h3-6,11-15,24H,7-10H2,1-2H3,(H2,25,28,29,30);1H.
What are the key properties of 6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride?
6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride has a molecular weight of 466.98 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxypyrimidin-4-yl)-N-[4-(1-piperazin-1-ylethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride is sourced from PubChem (CID 137479232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).