1-(2-iodophenyl)-5-methylbenzimidazol-2-amine

C14H12IN3 — CID 43661748

IUPAC1-(2-iodophenyl)-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2-c1ccccc1I
InChIInChI=1S/C14H12IN3/c1-9-6-7-13-11(8-9)17-14(16)18(13)12-5-3-2-4-10(12)15/h2-8H,1H3,(H2,16,17)
InChIKeyKMHVWSUUYAMSAS-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.52
Rot. Bonds1

About 1-(2-iodophenyl)-5-methylbenzimidazol-2-amine

1-(2-iodophenyl)-5-methylbenzimidazol-2-amine (PubChem CID 43661748) has the molecular formula C14H12IN3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 1-(2-iodophenyl)-5-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-iodophenyl)-5-methylbenzimidazol-2-amine
PubChem CID43661748
Molecular FormulaC14H12IN3
Molecular Weight349.18 g/mol
Exact Mass349.01
IUPAC Name1-(2-iodophenyl)-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2-c1ccccc1I
InChIInChI=1S/C14H12IN3/c1-9-6-7-13-11(8-9)17-14(16)18(13)12-5-3-2-4-10(12)15/h2-8H,1H3,(H2,16,17)
InChIKeyKMHVWSUUYAMSAS-UHFFFAOYSA-N
XLogP3.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-(2-methylphenyl)benzimidazol-2-amine
CID 43661880
5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine
CID 43661747
1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine
CID 43661916
1-(2-fluoro-5-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081783
1-(4-chloro-2-fluorophenyl)-5-methylbenzimidazol-2-amine
CID 61472339
2-amino-1-(2-methylphenyl)benzimidazol-5-ol
CID 84799586
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
CID 43661852
3-(2-amino-5-methylbenzimidazol-1-yl)phenol
CID 84799591
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine
CID 82766861
1-(2-bromo-5-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 82766158

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-5-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2-iodophenyl)-5-methylbenzimidazol-2-amine (CID 43661748) is 1-(2-iodophenyl)-5-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2-iodophenyl)-5-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2-iodophenyl)-5-methylbenzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2-c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-5-methylbenzimidazol-2-amine?
The InChIKey is KMHVWSUUYAMSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3/c1-9-6-7-13-11(8-9)17-14(16)18(13)12-5-3-2-4-10(12)15/h2-8H,1H3,(H2,16,17).
What are the key properties of 1-(2-iodophenyl)-5-methylbenzimidazol-2-amine?
1-(2-iodophenyl)-5-methylbenzimidazol-2-amine has a molecular weight of 349.18 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-5-methylbenzimidazol-2-amine is sourced from PubChem (CID 43661748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).