2-(4-iodophenyl)-1-methylbenzimidazole

C14H11IN2 — CID 23094064

IUPAC2-(4-iodophenyl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc(I)cc2)nc2ccccc21
InChIInChI=1S/C14H11IN2/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3
InChIKeyGFIZNVHKRCIWQB-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.84
Rot. Bonds1

About 2-(4-iodophenyl)-1-methylbenzimidazole

2-(4-iodophenyl)-1-methylbenzimidazole (PubChem CID 23094064) has the molecular formula C14H11IN2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-methylbenzimidazole
PubChem CID23094064
Molecular FormulaC14H11IN2
Molecular Weight334.16 g/mol
Exact Mass334.00
IUPAC Name2-(4-iodophenyl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc(I)cc2)nc2ccccc21
InChIInChI=1S/C14H11IN2/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3
InChIKeyGFIZNVHKRCIWQB-UHFFFAOYSA-N
XLogP3.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-iodophenyl)-1-methylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
1-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 123164452
2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole
CID 165148188
1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
CID 118055725
2-amino-5-(1-methylbenzimidazol-2-yl)phenol
CID 60835038
2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720981
[4-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]phenyl]boronic acid
CID 102488637
2-(4-benzo[a]anthracen-7-ylphenyl)-1-methylbenzimidazole
CID 88544840
2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;2-(4-fluorophenyl)-1-methylbenzimidazole;iridium
CID 158045917
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
CID 175716577
2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82354639
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-methylbenzimidazole?
The IUPAC name of 2-(4-iodophenyl)-1-methylbenzimidazole (CID 23094064) is 2-(4-iodophenyl)-1-methylbenzimidazole.
What is the SMILES notation for 2-(4-iodophenyl)-1-methylbenzimidazole?
The canonical SMILES for 2-(4-iodophenyl)-1-methylbenzimidazole is Cn1c(-c2ccc(I)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-iodophenyl)-1-methylbenzimidazole?
The InChIKey is GFIZNVHKRCIWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3.
What are the key properties of 2-(4-iodophenyl)-1-methylbenzimidazole?
2-(4-iodophenyl)-1-methylbenzimidazole has a molecular weight of 334.16 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-methylbenzimidazole is sourced from PubChem (CID 23094064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).