2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole

C22H22N4 — CID 59539167

IUPAC2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole
SMILESCc1nc2ccc(C3C=CC(c4ccc5nc(C)[nH]c5c4)CC3)cc2[nH]1
InChIInChI=1S/C22H22N4/c1-13-23-19-9-7-17(11-21(19)25-13)15-3-5-16(6-4-15)18-8-10-20-22(12-18)26-14(2)24-20/h3,5,7-12,15-16H,4,6H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPRGAHJJVYIJABW-UHFFFAOYSA-N
MW342.45 g/mol
LogP5.27
Rot. Bonds2

About 2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole

2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole (PubChem CID 59539167) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole
PubChem CID59539167
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole
SMILESCc1nc2ccc(C3C=CC(c4ccc5nc(C)[nH]c5c4)CC3)cc2[nH]1
InChIInChI=1S/C22H22N4/c1-13-23-19-9-7-17(11-21(19)25-13)15-3-5-16(6-4-15)18-8-10-20-22(12-18)26-14(2)24-20/h3,5,7-12,15-16H,4,6H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPRGAHJJVYIJABW-UHFFFAOYSA-N
XLogP5.27
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole
CID 116841727
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
(2-methyl-3H-benzimidazol-5-yl)boronic acid
CID 119084623
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
CID 116926269
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
CID 84671564
N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
CID 79860507
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
CID 116925567
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine
CID 61308992

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole?
The IUPAC name of 2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole (CID 59539167) is 2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole is Cc1nc2ccc(C3C=CC(c4ccc5nc(C)[nH]c5c4)CC3)cc2[nH]1.
What is the InChIKey of 2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole?
The InChIKey is PRGAHJJVYIJABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-13-23-19-9-7-17(11-21(19)25-13)15-3-5-16(6-4-15)18-8-10-20-22(12-18)26-14(2)24-20/h3,5,7-12,15-16H,4,6H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole?
2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole has a molecular weight of 342.45 g/mol, XLogP of 5.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole is sourced from PubChem (CID 59539167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).