2-(iodomethyl)-1-methylbenzimidazole

C9H9IN2 — CID 20803299

IUPAC2-(iodomethyl)-1-methylbenzimidazole
SMILESCn1c(CI)nc2ccccc21
InChIInChI=1S/C9H9IN2/c1-12-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3
InChIKeyBJCVFPVPCKHOBA-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.51
Rot. Bonds1

About 2-(iodomethyl)-1-methylbenzimidazole

2-(iodomethyl)-1-methylbenzimidazole (PubChem CID 20803299) has the molecular formula C9H9IN2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 2-(iodomethyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(iodomethyl)-1-methylbenzimidazole
PubChem CID20803299
Molecular FormulaC9H9IN2
Molecular Weight272.09 g/mol
Exact Mass271.98
IUPAC Name2-(iodomethyl)-1-methylbenzimidazole
SMILESCn1c(CI)nc2ccccc21
InChIInChI=1S/C9H9IN2/c1-12-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3
InChIKeyBJCVFPVPCKHOBA-UHFFFAOYSA-N
XLogP2.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
2-(4-chlorobut-2-ynyl)-1-methylbenzimidazole
CID 79754296
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-methyl-2-[[(1S,4S)-5-[(1-methylbenzimidazol-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzimidazole
CID 102484209

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-1-methylbenzimidazole?
The IUPAC name of 2-(iodomethyl)-1-methylbenzimidazole (CID 20803299) is 2-(iodomethyl)-1-methylbenzimidazole.
What is the SMILES notation for 2-(iodomethyl)-1-methylbenzimidazole?
The canonical SMILES for 2-(iodomethyl)-1-methylbenzimidazole is Cn1c(CI)nc2ccccc21.
What is the InChIKey of 2-(iodomethyl)-1-methylbenzimidazole?
The InChIKey is BJCVFPVPCKHOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2/c1-12-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3.
What are the key properties of 2-(iodomethyl)-1-methylbenzimidazole?
2-(iodomethyl)-1-methylbenzimidazole has a molecular weight of 272.09 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-1-methylbenzimidazole is sourced from PubChem (CID 20803299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).