4-chloro-2-methyl-1H-benzimidazole

C8H7ClN2 — CID 1484897

IUPAC4-chloro-2-methyl-1H-benzimidazole
SMILESCc1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C8H7ClN2/c1-5-10-7-4-2-3-6(9)8(7)11-5/h2-4H,1H3,(H,10,11)
InChIKeyLRJKAKFRLUGCMH-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.52
Rot. Bonds

About 4-chloro-2-methyl-1H-benzimidazole

4-chloro-2-methyl-1H-benzimidazole (PubChem CID 1484897) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 4-chloro-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-methyl-1H-benzimidazole
PubChem CID1484897
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name4-chloro-2-methyl-1H-benzimidazole
SMILESCc1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C8H7ClN2/c1-5-10-7-4-2-3-6(9)8(7)11-5/h2-4H,1H3,(H,10,11)
InChIKeyLRJKAKFRLUGCMH-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1H-benzimidazole?
The IUPAC name of 4-chloro-2-methyl-1H-benzimidazole (CID 1484897) is 4-chloro-2-methyl-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-methyl-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-methyl-1H-benzimidazole is Cc1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-2-methyl-1H-benzimidazole?
The InChIKey is LRJKAKFRLUGCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-5-10-7-4-2-3-6(9)8(7)11-5/h2-4H,1H3,(H,10,11).
What are the key properties of 4-chloro-2-methyl-1H-benzimidazole?
4-chloro-2-methyl-1H-benzimidazole has a molecular weight of 166.61 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1H-benzimidazole is sourced from PubChem (CID 1484897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).