4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole

C15H15N3 — CID 82946962

IUPAC4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole
SMILESCc1cncc(-c2nc3c(C)cc(C)cc3[nH]2)c1
InChIInChI=1S/C15H15N3/c1-9-4-11(3)14-13(6-9)17-15(18-14)12-5-10(2)7-16-8-12/h4-8H,1-3H3,(H,17,18)
InChIKeyCKOOGLYQUOQUFK-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.55
Rot. Bonds1

About 4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole

4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole (PubChem CID 82946962) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole
PubChem CID82946962
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole
SMILESCc1cncc(-c2nc3c(C)cc(C)cc3[nH]2)c1
InChIInChI=1S/C15H15N3/c1-9-4-11(3)14-13(6-9)17-15(18-14)12-5-10(2)7-16-8-12/h4-8H,1-3H3,(H,17,18)
InChIKeyCKOOGLYQUOQUFK-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82947728
2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773179
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
CID 104574633
2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82942404
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole
CID 90401113
2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole
CID 82946949
3-bromo-5-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947637
4-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82947385
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

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole (CID 82946962) is 4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole is Cc1cncc(-c2nc3c(C)cc(C)cc3[nH]2)c1.
What is the InChIKey of 4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole?
The InChIKey is CKOOGLYQUOQUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-9-4-11(3)14-13(6-9)17-15(18-14)12-5-10(2)7-16-8-12/h4-8H,1-3H3,(H,17,18).
What are the key properties of 4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole?
4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole has a molecular weight of 237.31 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 82946962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).