2-(3-chlorophenyl)-4-methyl-1H-benzimidazole

C14H11ClN2 — CID 60646448

IUPAC2-(3-chlorophenyl)-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C14H11ClN2/c1-9-4-2-7-12-13(9)17-14(16-12)10-5-3-6-11(15)8-10/h2-8H,1H3,(H,16,17)
InChIKeyLEUSPGJEWDSGNK-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.19
Rot. Bonds1

About 2-(3-chlorophenyl)-4-methyl-1H-benzimidazole

2-(3-chlorophenyl)-4-methyl-1H-benzimidazole (PubChem CID 60646448) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-1H-benzimidazole
PubChem CID60646448
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-(3-chlorophenyl)-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C14H11ClN2/c1-9-4-2-7-12-13(9)17-14(16-12)10-5-3-6-11(15)8-10/h2-8H,1H3,(H,16,17)
InChIKeyLEUSPGJEWDSGNK-UHFFFAOYSA-N
XLogP4.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-1H-benzimidazole (CID 60646448) is 2-(3-chlorophenyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-1H-benzimidazole?
The InChIKey is LEUSPGJEWDSGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-9-4-2-7-12-13(9)17-14(16-12)10-5-3-6-11(15)8-10/h2-8H,1H3,(H,16,17).
What are the key properties of 2-(3-chlorophenyl)-4-methyl-1H-benzimidazole?
2-(3-chlorophenyl)-4-methyl-1H-benzimidazole has a molecular weight of 242.71 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 60646448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).