N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine

C26H36N6 — CID 70865711

IUPACN-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
SMILESCCn1c(CCN(C)C2CCC2)nc2cc(-c3cccc(N4CCN(C)CC4)n3)ccc21
InChIInChI=1S/C26H36N6/c1-4-32-24-12-11-20(19-23(24)28-26(32)13-14-30(3)21-7-5-8-21)22-9-6-10-25(27-22)31-17-15-29(2)16-18-31/h6,9-12,19,21H,4-5,7-8,13-18H2,1-3H3
InChIKeyBHMYHWQSTYBGHO-UHFFFAOYSA-N
MW432.62 g/mol
LogP3.90
Rot. Bonds7

About N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine

N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine (PubChem CID 70865711) has the molecular formula C26H36N6 and a molecular weight of 432.62 g/mol. Its IUPAC name is N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine.

Molecular Properties

Compound NameN-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
PubChem CID70865711
Molecular FormulaC26H36N6
Molecular Weight432.62 g/mol
Exact Mass432.30
IUPAC NameN-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
SMILESCCn1c(CCN(C)C2CCC2)nc2cc(-c3cccc(N4CCN(C)CC4)n3)ccc21
InChIInChI=1S/C26H36N6/c1-4-32-24-12-11-20(19-23(24)28-26(32)13-14-30(3)21-7-5-8-21)22-9-6-10-25(27-22)31-17-15-29(2)16-18-31/h6,9-12,19,21H,4-5,7-8,13-18H2,1-3H3
InChIKeyBHMYHWQSTYBGHO-UHFFFAOYSA-N
XLogP3.90
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.62
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine?
The IUPAC name of N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine (CID 70865711) is N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine.
What is the SMILES notation for N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine?
The canonical SMILES for N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine is CCn1c(CCN(C)C2CCC2)nc2cc(-c3cccc(N4CCN(C)CC4)n3)ccc21.
What is the InChIKey of N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine?
The InChIKey is BHMYHWQSTYBGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6/c1-4-32-24-12-11-20(19-23(24)28-26(32)13-14-30(3)21-7-5-8-21)22-9-6-10-25(27-22)31-17-15-29(2)16-18-31/h6,9-12,19,21H,4-5,7-8,13-18H2,1-3H3.
What are the key properties of N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine?
N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine has a molecular weight of 432.62 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine is sourced from PubChem (CID 70865711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).