6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole

C17H10Cl2N4 — CID 58038261

IUPAC6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole
SMILESClc1ccc2nc(-c3cccnc3-c3ccncc3Cl)[nH]c2c1
InChIInChI=1S/C17H10Cl2N4/c18-10-3-4-14-15(8-10)23-17(22-14)12-2-1-6-21-16(12)11-5-7-20-9-13(11)19/h1-9H,(H,22,23)
InChIKeyHPFJOZQTCPTYKP-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.99
Rot. Bonds2

About 6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole

6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole (PubChem CID 58038261) has the molecular formula C17H10Cl2N4 and a molecular weight of 341.20 g/mol. Its IUPAC name is 6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole
PubChem CID58038261
Molecular FormulaC17H10Cl2N4
Molecular Weight341.20 g/mol
Exact Mass340.03
IUPAC Name6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole
SMILESClc1ccc2nc(-c3cccnc3-c3ccncc3Cl)[nH]c2c1
InChIInChI=1S/C17H10Cl2N4/c18-10-3-4-14-15(8-10)23-17(22-14)12-2-1-6-21-16(12)11-5-7-20-9-13(11)19/h1-9H,(H,22,23)
InChIKeyHPFJOZQTCPTYKP-UHFFFAOYSA-N
XLogP4.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole
CID 107519603
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole
CID 129162881
2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
CID 135988298
2-(4-chloro-3-pyridinyl)-1H-benzimidazole
CID 67996480
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
3-(6-chloro-1H-benzimidazol-2-yl)quinoline
CID 141307841
8-(6-chloro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 67095033
2-(6-chloro-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820027
3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline
CID 71230104
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
2-(4-chloro-3-pyridinyl)-3-[4-phenyl-5-(2,4,6-tritert-butylphenyl)-1H-imidazol-2-yl]pyridine
CID 176776059

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole (CID 58038261) is 6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole is Clc1ccc2nc(-c3cccnc3-c3ccncc3Cl)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole?
The InChIKey is HPFJOZQTCPTYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4/c18-10-3-4-14-15(8-10)23-17(22-14)12-2-1-6-21-16(12)11-5-7-20-9-13(11)19/h1-9H,(H,22,23).
What are the key properties of 6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole?
6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole has a molecular weight of 341.20 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 58038261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).