2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole

C14H11ClN2O — CID 121320344

IUPAC2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2cccc3[nH]c(Cl)nc23)cc1
InChIInChI=1S/C14H11ClN2O/c1-18-10-7-5-9(6-8-10)11-3-2-4-12-13(11)17-14(15)16-12/h2-8H,1H3,(H,16,17)
InChIKeyGFIFIXXAZJHKHH-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.89
Rot. Bonds2

About 2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole

2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole (PubChem CID 121320344) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole
PubChem CID121320344
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2cccc3[nH]c(Cl)nc23)cc1
InChIInChI=1S/C14H11ClN2O/c1-18-10-7-5-9(6-8-10)11-3-2-4-12-13(11)17-14(15)16-12/h2-8H,1H3,(H,16,17)
InChIKeyGFIFIXXAZJHKHH-UHFFFAOYSA-N
XLogP3.89
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole (CID 121320344) is 2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole is COc1ccc(-c2cccc3[nH]c(Cl)nc23)cc1.
What is the InChIKey of 2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole?
The InChIKey is GFIFIXXAZJHKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-18-10-7-5-9(6-8-10)11-3-2-4-12-13(11)17-14(15)16-12/h2-8H,1H3,(H,16,17).
What are the key properties of 2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole?
2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole has a molecular weight of 258.71 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 121320344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).