5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine

C16H16IN3 — CID 104591883

IUPAC5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2cc(I)ccc21)c1ccccc1
InChIInChI=1S/C16H16IN3/c1-11(12-5-3-2-4-6-12)10-20-15-8-7-13(17)9-14(15)19-16(20)18/h2-9,11H,10H2,1H3,(H2,18,19)
InChIKeyPQUBMDLUZDWURU-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.03
Rot. Bonds3

About 5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine

5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine (PubChem CID 104591883) has the molecular formula C16H16IN3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine
PubChem CID104591883
Molecular FormulaC16H16IN3
Molecular Weight377.23 g/mol
Exact Mass377.04
IUPAC Name5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2cc(I)ccc21)c1ccccc1
InChIInChI=1S/C16H16IN3/c1-11(12-5-3-2-4-6-12)10-20-15-8-7-13(17)9-14(15)19-16(20)18/h2-9,11H,10H2,1H3,(H2,18,19)
InChIKeyPQUBMDLUZDWURU-UHFFFAOYSA-N
XLogP4.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.03
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-iodo-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 66080022
5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine
CID 66081206
5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66082189
5-methyl-1-(3-phenylbutyl)benzimidazol-2-amine
CID 62987867
1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine
CID 66080783
1-[(2-chlorophenyl)methyl]-5-iodobenzimidazol-2-amine
CID 66081183
5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66080984
5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine
CID 66081984
5-iodo-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 80612024
5-iodo-1-pentan-2-ylbenzimidazol-2-amine
CID 66081380
2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide
CID 164903398
1-(3-ethylsulfanylpropyl)-5-iodobenzimidazol-2-amine
CID 114248498

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine?
The IUPAC name of 5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine (CID 104591883) is 5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine is CC(Cn1c(N)nc2cc(I)ccc21)c1ccccc1.
What is the InChIKey of 5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine?
The InChIKey is PQUBMDLUZDWURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN3/c1-11(12-5-3-2-4-6-12)10-20-15-8-7-13(17)9-14(15)19-16(20)18/h2-9,11H,10H2,1H3,(H2,18,19).
What are the key properties of 5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine?
5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine has a molecular weight of 377.23 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 104591883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).