5-chloro-4-methoxy-1H-benzimidazole

C8H7ClN2O — CID 130049294

IUPAC5-chloro-4-methoxy-1H-benzimidazole
SMILESCOc1c(Cl)ccc2[nH]cnc12
InChIInChI=1S/C8H7ClN2O/c1-12-8-5(9)2-3-6-7(8)11-4-10-6/h2-4H,1H3,(H,10,11)
InChIKeyBTNULFXCTXNSIU-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.22
Rot. Bonds1

About 5-chloro-4-methoxy-1H-benzimidazole

5-chloro-4-methoxy-1H-benzimidazole (PubChem CID 130049294) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 5-chloro-4-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-4-methoxy-1H-benzimidazole
PubChem CID130049294
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name5-chloro-4-methoxy-1H-benzimidazole
SMILESCOc1c(Cl)ccc2[nH]cnc12
InChIInChI=1S/C8H7ClN2O/c1-12-8-5(9)2-3-6-7(8)11-4-10-6/h2-4H,1H3,(H,10,11)
InChIKeyBTNULFXCTXNSIU-UHFFFAOYSA-N
XLogP2.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethoxy-1H-benzimidazole
CID 54423692
4-methoxy-5-methyl-1H-benzimidazole
CID 91306611
5-chloro-4-(difluoromethoxy)-1H-benzimidazole
CID 131117109
2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine
CID 173196682
4-fluoro-5-methoxy-1H-benzimidazole
CID 130850479
5-chloro-1H-benzimidazole-4-carbonitrile
CID 129319161
4-chloro-5-iodo-1H-benzimidazole
CID 130951078
4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline
CID 12065047
4-chloro-1H-imidazo[4,5-c]pyridine;hydrochloride
CID 122362446
4-(difluoromethoxy)-5-iodo-1H-benzimidazole
CID 131094172
6-chloro-5-methoxy-1H-quinolin-2-one
CID 59141010
formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine
CID 127255827

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-1H-benzimidazole?
The IUPAC name of 5-chloro-4-methoxy-1H-benzimidazole (CID 130049294) is 5-chloro-4-methoxy-1H-benzimidazole.
What is the SMILES notation for 5-chloro-4-methoxy-1H-benzimidazole?
The canonical SMILES for 5-chloro-4-methoxy-1H-benzimidazole is COc1c(Cl)ccc2[nH]cnc12.
What is the InChIKey of 5-chloro-4-methoxy-1H-benzimidazole?
The InChIKey is BTNULFXCTXNSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-12-8-5(9)2-3-6-7(8)11-4-10-6/h2-4H,1H3,(H,10,11).
What are the key properties of 5-chloro-4-methoxy-1H-benzimidazole?
5-chloro-4-methoxy-1H-benzimidazole has a molecular weight of 182.61 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-1H-benzimidazole is sourced from PubChem (CID 130049294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).