[2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine

C15H16IN3S — CID 79690117

IUPAC[2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
SMILESCC(C)n1c(-c2csc(I)c2)nc2cc(CN)ccc21
InChIInChI=1S/C15H16IN3S/c1-9(2)19-13-4-3-10(7-17)5-12(13)18-15(19)11-6-14(16)20-8-11/h3-6,8-9H,7,17H2,1-2H3
InChIKeyIOXLYMIQDYSAAD-UHFFFAOYSA-N
MW397.29 g/mol
LogP4.41
Rot. Bonds3

About [2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine

[2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine (PubChem CID 79690117) has the molecular formula C15H16IN3S and a molecular weight of 397.29 g/mol. Its IUPAC name is [2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
PubChem CID79690117
Molecular FormulaC15H16IN3S
Molecular Weight397.29 g/mol
Exact Mass397.01
IUPAC Name[2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
SMILESCC(C)n1c(-c2csc(I)c2)nc2cc(CN)ccc21
InChIInChI=1S/C15H16IN3S/c1-9(2)19-13-4-3-10(7-17)5-12(13)18-15(19)11-6-14(16)20-8-11/h3-6,8-9H,7,17H2,1-2H3
InChIKeyIOXLYMIQDYSAAD-UHFFFAOYSA-N
XLogP4.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
CID 60785792
(1-propan-2-yl-2-pyrazin-2-ylbenzimidazol-5-yl)methanamine
CID 65037653
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037847
[2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 66473098
[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65038230
3-[5-(aminomethyl)-1-propan-2-ylbenzimidazol-2-yl]-1H-pyridin-4-one
CID 136812792
[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037754
[2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037701
(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037850
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500
[2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 115950378
[1-propan-2-yl-2-(thian-2-yl)benzimidazol-5-yl]methanamine
CID 80595198

Frequently Asked Questions

What is the IUPAC name of [2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine (CID 79690117) is [2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine is CC(C)n1c(-c2csc(I)c2)nc2cc(CN)ccc21.
What is the InChIKey of [2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The InChIKey is IOXLYMIQDYSAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3S/c1-9(2)19-13-4-3-10(7-17)5-12(13)18-15(19)11-6-14(16)20-8-11/h3-6,8-9H,7,17H2,1-2H3.
What are the key properties of [2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
[2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine has a molecular weight of 397.29 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 79690117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).