4-chloro-5-iodo-1H-benzimidazole

C7H4ClIN2 — CID 130951078

IUPAC4-chloro-5-iodo-1H-benzimidazole
SMILESClc1c(I)ccc2[nH]cnc12
InChIInChI=1S/C7H4ClIN2/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,(H,10,11)
InChIKeyOLAKLMSSIDHSMN-UHFFFAOYSA-N
MW278.48 g/mol
LogP2.82
Rot. Bonds

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

4-chloro-5-iodo-1H-benzimidazole (PubChem CID 130951078) has the molecular formula C7H4ClIN2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 4-chloro-5-iodo-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-5-iodo-1H-benzimidazole
PubChem CID130951078
Molecular FormulaC7H4ClIN2
Molecular Weight278.48 g/mol
Exact Mass277.91
IUPAC Name4-chloro-5-iodo-1H-benzimidazole
SMILESClc1c(I)ccc2[nH]cnc12
InChIInChI=1S/C7H4ClIN2/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,(H,10,11)
InChIKeyOLAKLMSSIDHSMN-UHFFFAOYSA-N
XLogP2.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1H-benzimidazole-5-carboxamide
CID 130877031
4-(difluoromethoxy)-5-iodo-1H-benzimidazole
CID 131094172
4-chloro-1H-imidazo[4,5-c]pyridine;hydrochloride
CID 122362446
5-chloro-1H-benzimidazole-4-carbonitrile
CID 129319161
5-chloro-4-methoxy-1H-benzimidazole
CID 130049294
5-chloro-4-(difluoromethoxy)-1H-benzimidazole
CID 131117109
4-(chloromethyl)-7-iodo-1H-benzimidazole
CID 130934090
4-(chloromethyl)-1H-benzimidazol-5-ol
CID 131027126
5-(chloromethyl)-1H-benzimidazol-4-amine
CID 130970762
5-methylsulfanyl-1H-benzimidazole-4-carboxylic acid
CID 131053155
5-bromo-1H-benzimidazole-4-thiol
CID 131028849
2-(4-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 130882212

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-1H-benzimidazole?
The IUPAC name of 4-chloro-5-iodo-1H-benzimidazole (CID 130951078) is 4-chloro-5-iodo-1H-benzimidazole.
What is the SMILES notation for 4-chloro-5-iodo-1H-benzimidazole?
The canonical SMILES for 4-chloro-5-iodo-1H-benzimidazole is Clc1c(I)ccc2[nH]cnc12.
What is the InChIKey of 4-chloro-5-iodo-1H-benzimidazole?
The InChIKey is OLAKLMSSIDHSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,(H,10,11).
What are the key properties of 4-chloro-5-iodo-1H-benzimidazole?
4-chloro-5-iodo-1H-benzimidazole has a molecular weight of 278.48 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-1H-benzimidazole is sourced from PubChem (CID 130951078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).