1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole

C19H24N4 — CID 71350000

IUPAC1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole
SMILESCN1CN(CCCN2CN(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C19H24N4/c1-20-14-22(18-10-5-3-8-16(18)20)12-7-13-23-15-21(2)17-9-4-6-11-19(17)23/h3-6,8-11H,7,12-15H2,1-2H3
InChIKeyHGGHAJIKZXEDLX-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.20
Rot. Bonds4

About 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole

1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole (PubChem CID 71350000) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole.

Molecular Properties

Compound Name1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole
PubChem CID71350000
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole
SMILESCN1CN(CCCN2CN(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C19H24N4/c1-20-14-22(18-10-5-3-8-16(18)20)12-7-13-23-15-21(2)17-9-4-6-11-19(17)23/h3-6,8-11H,7,12-15H2,1-2H3
InChIKeyHGGHAJIKZXEDLX-UHFFFAOYSA-N
XLogP3.20
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole?
The IUPAC name of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole (CID 71350000) is 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole.
What is the SMILES notation for 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole?
The canonical SMILES for 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole is CN1CN(CCCN2CN(C)c3ccccc32)c2ccccc21.
What is the InChIKey of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole?
The InChIKey is HGGHAJIKZXEDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-20-14-22(18-10-5-3-8-16(18)20)12-7-13-23-15-21(2)17-9-4-6-11-19(17)23/h3-6,8-11H,7,12-15H2,1-2H3.
What are the key properties of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole?
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole has a molecular weight of 308.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole is sourced from PubChem (CID 71350000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).