5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole

C9H6ClF2IN2 — CID 162381692

IUPAC5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole
SMILESCc1nc2cc(Cl)c(I)cc2n1C(F)F
InChIInChI=1S/C9H6ClF2IN2/c1-4-14-7-2-5(10)6(13)3-8(7)15(4)9(11)12/h2-3,9H,1H3
InChIKeyQMNYOVCXPBRMLF-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.00
Rot. Bonds1

About 5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole

5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole (PubChem CID 162381692) has the molecular formula C9H6ClF2IN2 and a molecular weight of 342.51 g/mol. Its IUPAC name is 5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole.

Molecular Properties

Compound Name5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole
PubChem CID162381692
Molecular FormulaC9H6ClF2IN2
Molecular Weight342.51 g/mol
Exact Mass341.92
IUPAC Name5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole
SMILESCc1nc2cc(Cl)c(I)cc2n1C(F)F
InChIInChI=1S/C9H6ClF2IN2/c1-4-14-7-2-5(10)6(13)3-8(7)15(4)9(11)12/h2-3,9H,1H3
InChIKeyQMNYOVCXPBRMLF-UHFFFAOYSA-N
XLogP4.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole
CID 175742678
1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole
CID 162380961
6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine
CID 83833773
2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid
CID 82146050
1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene
CID 70806772
1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 107638237
6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile
CID 171820077
5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
CID 91737844
6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole
CID 21329570
1-chloro-4,5-difluoro-2-iodobenzene
CID 56965571
3-chloro-2-(difluoromethyl)-5-iodo-6-methylpyridine
CID 130073015
2-(5-chloro-3,6-difluoro-2-pyridinyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
CID 138634043

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole?
The IUPAC name of 5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole (CID 162381692) is 5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole.
What is the SMILES notation for 5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole?
The canonical SMILES for 5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole is Cc1nc2cc(Cl)c(I)cc2n1C(F)F.
What is the InChIKey of 5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole?
The InChIKey is QMNYOVCXPBRMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF2IN2/c1-4-14-7-2-5(10)6(13)3-8(7)15(4)9(11)12/h2-3,9H,1H3.
What are the key properties of 5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole?
5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole has a molecular weight of 342.51 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(difluoromethyl)-6-iodo-2-methylbenzimidazole is sourced from PubChem (CID 162381692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).