4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole

C18H20N2 — CID 56773162

IUPAC4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccc(C(C)C)cc3)[nH]c2c1
InChIInChI=1S/C18H20N2/c1-11(2)14-5-7-15(8-6-14)18-19-16-10-12(3)9-13(4)17(16)20-18/h5-11H,1-4H3,(H,19,20)
InChIKeyQJCRLMJNWMFMRO-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.97
Rot. Bonds2

About 4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole

4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole (PubChem CID 56773162) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
PubChem CID56773162
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccc(C(C)C)cc3)[nH]c2c1
InChIInChI=1S/C18H20N2/c1-11(2)14-5-7-15(8-6-14)18-19-16-10-12(3)9-13(4)17(16)20-18/h5-11H,1-4H3,(H,19,20)
InChIKeyQJCRLMJNWMFMRO-UHFFFAOYSA-N
XLogP4.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773179
2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole
CID 82946949
4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole
CID 82946962
4-(4-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 84636861
2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82942404
4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole
CID 91686424
4-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82946945
4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 82947476
6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 91318855
5-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82947728
2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114373909

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole?
The IUPAC name of 4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole (CID 56773162) is 4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole?
The canonical SMILES for 4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole is Cc1cc(C)c2nc(-c3ccc(C(C)C)cc3)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole?
The InChIKey is QJCRLMJNWMFMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-11(2)14-5-7-15(8-6-14)18-19-16-10-12(3)9-13(4)17(16)20-18/h5-11H,1-4H3,(H,19,20).
What are the key properties of 4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole?
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole has a molecular weight of 264.37 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole is sourced from PubChem (CID 56773162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).