N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine

C10H10IN5 — CID 12968438

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine
SMILESIc1c(NC2=NCCN2)ccc2[nH]cnc12
InChIInChI=1S/C10H10IN5/c11-8-6(16-10-12-3-4-13-10)1-2-7-9(8)15-5-14-7/h1-2,5H,3-4H2,(H,14,15)(H2,12,13,16)
InChIKeyWHLJTPIETHMXDI-UHFFFAOYSA-N
MW327.13 g/mol
LogP1.54
Rot. Bonds1

About N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine (PubChem CID 12968438) has the molecular formula C10H10IN5 and a molecular weight of 327.13 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine
PubChem CID12968438
Molecular FormulaC10H10IN5
Molecular Weight327.13 g/mol
Exact Mass327.00
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine
SMILESIc1c(NC2=NCCN2)ccc2[nH]cnc12
InChIInChI=1S/C10H10IN5/c11-8-6(16-10-12-3-4-13-10)1-2-7-9(8)15-5-14-7/h1-2,5H,3-4H2,(H,14,15)(H2,12,13,16)
InChIKeyWHLJTPIETHMXDI-UHFFFAOYSA-N
XLogP1.54
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine (CID 12968438) is N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine is Ic1c(NC2=NCCN2)ccc2[nH]cnc12.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine?
The InChIKey is WHLJTPIETHMXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN5/c11-8-6(16-10-12-3-4-13-10)1-2-7-9(8)15-5-14-7/h1-2,5H,3-4H2,(H,14,15)(H2,12,13,16).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine has a molecular weight of 327.13 g/mol, XLogP of 1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine is sourced from PubChem (CID 12968438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).