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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Related Compounds

6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129245837
6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride
CID 129245570
N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine
CID 129245693
6-[6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride
CID 162346836
6-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129261284
6-[6-(cyclobutylmethoxy)pyrimidin-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride
CID 137479190
N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine
CID 129245695
6-(2-methoxy-4-pyridinyl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129245857
N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 137479164
6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129261353
cyclopropyl-[4-[[2-[[6-[6-(methoxymethyl)pyrimidin-4-yl]-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone
CID 129245394
tert-butyl 4-[[2-[[6-[6-(hydroxymethyl)pyrimidin-4-yl]-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 129261615

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).