4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole

C16H14N4 — CID 11139924

IUPAC4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3nc4c(C)cccc4[nH]3)nc12
InChIInChI=1S/C16H14N4/c1-9-5-3-7-11-13(9)19-15(17-11)16-18-12-8-4-6-10(2)14(12)20-16/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyQPZAVUSSDDPYNB-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.72
Rot. Bonds1

About 4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole

4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole (PubChem CID 11139924) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole
PubChem CID11139924
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3nc4c(C)cccc4[nH]3)nc12
InChIInChI=1S/C16H14N4/c1-9-5-3-7-11-13(9)19-15(17-11)16-18-12-8-4-6-10(2)14(12)20-16/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyQPZAVUSSDDPYNB-UHFFFAOYSA-N
XLogP3.72
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The IUPAC name of 4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole (CID 11139924) is 4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole is Cc1cccc2[nH]c(-c3nc4c(C)cccc4[nH]3)nc12.
What is the InChIKey of 4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The InChIKey is QPZAVUSSDDPYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-9-5-3-7-11-13(9)19-15(17-11)16-18-12-8-4-6-10(2)14(12)20-16/h3-8H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole?
4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole has a molecular weight of 262.32 g/mol, XLogP of 3.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 11139924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).