2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole

C20H20N4 — CID 70461127

IUPAC2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole
SMILESCCc1cccc(CC)c1-n1cncc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H20N4/c1-3-14-8-7-9-15(4-2)19(14)24-13-21-12-18(24)20-22-16-10-5-6-11-17(16)23-20/h5-13H,3-4H2,1-2H3,(H,22,23)
InChIKeyIHXXIZIELDCITC-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.54
Rot. Bonds4

About 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole

2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole (PubChem CID 70461127) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole
PubChem CID70461127
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole
SMILESCCc1cccc(CC)c1-n1cncc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H20N4/c1-3-14-8-7-9-15(4-2)19(14)24-13-21-12-18(24)20-22-16-10-5-6-11-17(16)23-20/h5-13H,3-4H2,1-2H3,(H,22,23)
InChIKeyIHXXIZIELDCITC-UHFFFAOYSA-N
XLogP4.54
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 68602182
8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline
CID 141290230
2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole
CID 70411840
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
CID 923999
2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide
CID 101078161
CID 174060843
CID 174060843
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
CID 105063747

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole (CID 70461127) is 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole is CCc1cccc(CC)c1-n1cncc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole?
The InChIKey is IHXXIZIELDCITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-3-14-8-7-9-15(4-2)19(14)24-13-21-12-18(24)20-22-16-10-5-6-11-17(16)23-20/h5-13H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole?
2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole has a molecular weight of 316.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 70461127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).