2-iodo-2-phenyl-1,3-dihydrobenzimidazole

C13H11IN2 — CID 174916571

IUPAC2-iodo-2-phenyl-1,3-dihydrobenzimidazole
SMILESIC1(c2ccccc2)Nc2ccccc2N1
InChIInChI=1S/C13H11IN2/c14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-13/h1-9,15-16H
InChIKeyGASADMZGNMWQSY-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.77
Rot. Bonds1

About 2-iodo-2-phenyl-1,3-dihydrobenzimidazole

2-iodo-2-phenyl-1,3-dihydrobenzimidazole (PubChem CID 174916571) has the molecular formula C13H11IN2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 2-iodo-2-phenyl-1,3-dihydrobenzimidazole.

Molecular Properties

Compound Name2-iodo-2-phenyl-1,3-dihydrobenzimidazole
PubChem CID174916571
Molecular FormulaC13H11IN2
Molecular Weight322.15 g/mol
Exact Mass322.00
IUPAC Name2-iodo-2-phenyl-1,3-dihydrobenzimidazole
SMILESIC1(c2ccccc2)Nc2ccccc2N1
InChIInChI=1S/C13H11IN2/c14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-13/h1-9,15-16H
InChIKeyGASADMZGNMWQSY-UHFFFAOYSA-N
XLogP3.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
CID 86257544
(1-iodocyclopropyl)benzene
CID 68648417
3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline
CID 57135903
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid
CID 68790453
2,3-dimethyl-2-phenyl-1H-benzimidazole
CID 70875592
4-methyl-2,2-diphenyl-1H-quinoline
CID 15834052
2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one
CID 3793206
disodium;5,10-dihydrophenazine;hydride
CID 173242868
2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one
CID 13293493
2-ethenyl-2-phenyl-1H-indol-3-one
CID 11118014

Frequently Asked Questions

What is the IUPAC name of 2-iodo-2-phenyl-1,3-dihydrobenzimidazole?
The IUPAC name of 2-iodo-2-phenyl-1,3-dihydrobenzimidazole (CID 174916571) is 2-iodo-2-phenyl-1,3-dihydrobenzimidazole.
What is the SMILES notation for 2-iodo-2-phenyl-1,3-dihydrobenzimidazole?
The canonical SMILES for 2-iodo-2-phenyl-1,3-dihydrobenzimidazole is IC1(c2ccccc2)Nc2ccccc2N1.
What is the InChIKey of 2-iodo-2-phenyl-1,3-dihydrobenzimidazole?
The InChIKey is GASADMZGNMWQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2/c14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-13/h1-9,15-16H.
What are the key properties of 2-iodo-2-phenyl-1,3-dihydrobenzimidazole?
2-iodo-2-phenyl-1,3-dihydrobenzimidazole has a molecular weight of 322.15 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-phenyl-1,3-dihydrobenzimidazole is sourced from PubChem (CID 174916571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).