2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole

C23H28N4 — CID 150245168

IUPAC2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole
SMILESCCC(CC)(c1nc2c(C)c(C)ccc2[nH]1)c1nc2c(C)c(C)ccc2[nH]1
InChIInChI=1S/C23H28N4/c1-7-23(8-2,21-24-17-11-9-13(3)15(5)19(17)26-21)22-25-18-12-10-14(4)16(6)20(18)27-22/h9-12H,7-8H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyFYIYVFHPWUMLPG-UHFFFAOYSA-N
MW360.51 g/mol
LogP5.78
Rot. Bonds4

About 2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole

2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole (PubChem CID 150245168) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole
PubChem CID150245168
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole
SMILESCCC(CC)(c1nc2c(C)c(C)ccc2[nH]1)c1nc2c(C)c(C)ccc2[nH]1
InChIInChI=1S/C23H28N4/c1-7-23(8-2,21-24-17-11-9-13(3)15(5)19(17)26-21)22-25-18-12-10-14(4)16(6)20(18)27-22/h9-12H,7-8H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyFYIYVFHPWUMLPG-UHFFFAOYSA-N
XLogP5.78
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.51
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole (CID 150245168) is 2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole is CCC(CC)(c1nc2c(C)c(C)ccc2[nH]1)c1nc2c(C)c(C)ccc2[nH]1.
What is the InChIKey of 2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole?
The InChIKey is FYIYVFHPWUMLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-7-23(8-2,21-24-17-11-9-13(3)15(5)19(17)26-21)22-25-18-12-10-14(4)16(6)20(18)27-22/h9-12H,7-8H2,1-6H3,(H,24,26)(H,25,27).
What are the key properties of 2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole?
2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole has a molecular weight of 360.51 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole is sourced from PubChem (CID 150245168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).