2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole

C23H14Cl2N2 — CID 134336885

IUPAC2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole
SMILESClc1cccc(-c2nc3ccccc3[nH]2)c1-c1ccc2ccccc2c1Cl
InChIInChI=1S/C23H14Cl2N2/c24-18-9-5-8-17(23-26-19-10-3-4-11-20(19)27-23)21(18)16-13-12-14-6-1-2-7-15(14)22(16)25/h1-13H,(H,26,27)
InChIKeyQYRVMQKMEOQCBO-UHFFFAOYSA-N
MW389.29 g/mol
LogP7.36
Rot. Bonds2

About 2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole

2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole (PubChem CID 134336885) has the molecular formula C23H14Cl2N2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole
PubChem CID134336885
Molecular FormulaC23H14Cl2N2
Molecular Weight389.29 g/mol
Exact Mass388.05
IUPAC Name2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole
SMILESClc1cccc(-c2nc3ccccc3[nH]2)c1-c1ccc2ccccc2c1Cl
InChIInChI=1S/C23H14Cl2N2/c24-18-9-5-8-17(23-26-19-10-3-4-11-20(19)27-23)21(18)16-13-12-14-6-1-2-7-15(14)22(16)25/h1-13H,(H,26,27)
InChIKeyQYRVMQKMEOQCBO-UHFFFAOYSA-N
XLogP7.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2,3-dichlorophenyl)phenyl]-1H-benzimidazole
CID 134336861
2-[2-(1,6-dichloronaphthalen-2-yl)phenyl]-1H-benzimidazole
CID 134336865
2-(1-bromonaphthalen-2-yl)-1H-benzimidazole
CID 101479527
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole
CID 129162881
CID 20700346
CID 20700346
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole
CID 168554744
2-(1-heptylnaphthalen-2-yl)-1H-benzimidazole
CID 175558327
[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate
CID 2834928
2-naphthalen-1-yl-3H-benzimidazol-5-ol
CID 81432399
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
2-(4-chloro-3-pyridinyl)-1H-benzimidazole
CID 67996480

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole (CID 134336885) is 2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole is Clc1cccc(-c2nc3ccccc3[nH]2)c1-c1ccc2ccccc2c1Cl.
What is the InChIKey of 2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole?
The InChIKey is QYRVMQKMEOQCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N2/c24-18-9-5-8-17(23-26-19-10-3-4-11-20(19)27-23)21(18)16-13-12-14-6-1-2-7-15(14)22(16)25/h1-13H,(H,26,27).
What are the key properties of 2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole?
2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole has a molecular weight of 389.29 g/mol, XLogP of 7.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 134336885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).