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

C14H12ClN3 — CID 60978264

IUPAC4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3c(Cl)cccc3[nH]2)c(C)n1
InChIInChI=1S/C14H12ClN3/c1-8-6-7-10(9(2)16-8)14-17-12-5-3-4-11(15)13(12)18-14/h3-7H,1-2H3,(H,17,18)
InChIKeySVBCSKCBOUUOOZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.90
Rot. Bonds1

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

4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole (PubChem CID 60978264) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
PubChem CID60978264
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3c(Cl)cccc3[nH]2)c(C)n1
InChIInChI=1S/C14H12ClN3/c1-8-6-7-10(9(2)16-8)14-17-12-5-3-4-11(15)13(12)18-14/h3-7H,1-2H3,(H,17,18)
InChIKeySVBCSKCBOUUOOZ-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2,5-dimethylphenyl)-1H-benzimidazole
CID 64723918
4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903772
3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928259
5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
CID 60978144
2-(4-chloro-1H-benzimidazol-2-yl)-4,5-dimethoxyaniline
CID 60786590
4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
CID 28690834
6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60975061
4-chloro-2-(4-iodophenyl)-1H-benzimidazole
CID 28690808
4-chloro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922109
2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 106861840

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole (CID 60978264) is 4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole is Cc1ccc(-c2nc3c(Cl)cccc3[nH]2)c(C)n1.
What is the InChIKey of 4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole?
The InChIKey is SVBCSKCBOUUOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-8-6-7-10(9(2)16-8)14-17-12-5-3-4-11(15)13(12)18-14/h3-7H,1-2H3,(H,17,18).
What are the key properties of 4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole?
4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole has a molecular weight of 257.72 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 60978264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).