5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine

C14H13IN4 — CID 66081984

IUPAC5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine
SMILESCC(c1cccnc1)n1c(N)nc2cc(I)ccc21
InChIInChI=1S/C14H13IN4/c1-9(10-3-2-6-17-8-10)19-13-5-4-11(15)7-12(13)18-14(19)16/h2-9H,1H3,(H2,16,18)
InChIKeyKNFYRWKKUUBXKD-UHFFFAOYSA-N
MW364.19 g/mol
LogP3.23
Rot. Bonds2

About 5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine

5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine (PubChem CID 66081984) has the molecular formula C14H13IN4 and a molecular weight of 364.19 g/mol. Its IUPAC name is 5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine
PubChem CID66081984
Molecular FormulaC14H13IN4
Molecular Weight364.19 g/mol
Exact Mass364.02
IUPAC Name5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine
SMILESCC(c1cccnc1)n1c(N)nc2cc(I)ccc21
InChIInChI=1S/C14H13IN4/c1-9(10-3-2-6-17-8-10)19-13-5-4-11(15)7-12(13)18-14(19)16/h2-9H,1H3,(H2,16,18)
InChIKeyKNFYRWKKUUBXKD-UHFFFAOYSA-N
XLogP3.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine?
The IUPAC name of 5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine (CID 66081984) is 5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine is CC(c1cccnc1)n1c(N)nc2cc(I)ccc21.
What is the InChIKey of 5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine?
The InChIKey is KNFYRWKKUUBXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN4/c1-9(10-3-2-6-17-8-10)19-13-5-4-11(15)7-12(13)18-14(19)16/h2-9H,1H3,(H2,16,18).
What are the key properties of 5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine?
5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine has a molecular weight of 364.19 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 66081984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).