6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine

C23H26N8 — CID 129245958

IUPAC6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
SMILESCCc1cc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)ncn1
InChIInChI=1S/C23H26N8/c1-2-18-13-20(27-15-26-18)17-3-4-19-21(12-17)29-23(28-19)30-22-11-16(5-6-25-22)14-31-9-7-24-8-10-31/h3-6,11-13,15,24H,2,7-10,14H2,1H3,(H2,25,28,29,30)
InChIKeyPQIVSQFVOBHIQE-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.13
Rot. Bonds6

About 6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine

6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 129245958) has the molecular formula C23H26N8 and a molecular weight of 414.52 g/mol. Its IUPAC name is 6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
PubChem CID129245958
Molecular FormulaC23H26N8
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC Name6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
SMILESCCc1cc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)ncn1
InChIInChI=1S/C23H26N8/c1-2-18-13-20(27-15-26-18)17-3-4-19-21(12-17)29-23(28-19)30-22-11-16(5-6-25-22)14-31-9-7-24-8-10-31/h3-6,11-13,15,24H,2,7-10,14H2,1H3,(H2,25,28,29,30)
InChIKeyPQIVSQFVOBHIQE-UHFFFAOYSA-N
XLogP3.13
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine (CID 129245958) is 6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine is CCc1cc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)ncn1.
What is the InChIKey of 6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?
The InChIKey is PQIVSQFVOBHIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8/c1-2-18-13-20(27-15-26-18)17-3-4-19-21(12-17)29-23(28-19)30-22-11-16(5-6-25-22)14-31-9-7-24-8-10-31/h3-6,11-13,15,24H,2,7-10,14H2,1H3,(H2,25,28,29,30).
What are the key properties of 6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?
6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 414.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 129245958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).