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

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Related Compounds

N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
CID 121411874
2-(4-(2-(2-methoxypyridin-3-yl)-3H-imidazo[4,5-b]pyridin-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487354
2-(4-(2-(2-methoxypyridin-3-yl)-4-methyl-1H-benzo[d]imidazol-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487360
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057812
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 10171540
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-6-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-4-amine
CID 118735323
7-benzyl-4-N-(4-methoxyphenyl)-4-N-methyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 137661858
1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164622117
9-methoxy-4-(piperidin-1-yl)-5H-pyrimido[5,4-b]indole
CID 663380
9-methoxy-4-(3-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
CID 663629
8-ethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
CID 663751

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).