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

C14H12ClN3 — CID 60975061

IUPAC6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(C)n1
InChIInChI=1S/C14H12ClN3/c1-8-3-5-11(9(2)16-8)14-17-12-6-4-10(15)7-13(12)18-14/h3-7H,1-2H3,(H,17,18)
InChIKeyQRAYKOBOEFRSTP-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.90
Rot. Bonds1

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

6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole (PubChem CID 60975061) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
PubChem CID60975061
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(C)n1
InChIInChI=1S/C14H12ClN3/c1-8-3-5-11(9(2)16-8)14-17-12-6-4-10(15)7-13(12)18-14/h3-7H,1-2H3,(H,17,18)
InChIKeyQRAYKOBOEFRSTP-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

6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline
CID 139915272
2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
CID 135988298
4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60978264
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
2-(4-chloro-2-methylphenyl)-6-nitro-1H-benzimidazole
CID 162663373
2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole (CID 60975061) is 6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole is Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(C)n1.
What is the InChIKey of 6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole?
The InChIKey is QRAYKOBOEFRSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-8-3-5-11(9(2)16-8)14-17-12-6-4-10(15)7-13(12)18-14/h3-7H,1-2H3,(H,17,18).
What are the key properties of 6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole?
6-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 6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 60975061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).