2-chloro-6-imidazol-1-ylbenzenecarboximidamide

C10H9ClN4 — CID 62495659

IUPAC2-chloro-6-imidazol-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1-n1ccnc1
InChIInChI=1S/C10H9ClN4/c11-7-2-1-3-8(9(7)10(12)13)15-5-4-14-6-15/h1-6H,(H3,12,13)
InChIKeyLPTZKYSWUGWUGU-UHFFFAOYSA-N
MW220.66 g/mol
LogP1.81
Rot. Bonds2

About 2-chloro-6-imidazol-1-ylbenzenecarboximidamide

2-chloro-6-imidazol-1-ylbenzenecarboximidamide (PubChem CID 62495659) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-chloro-6-imidazol-1-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-imidazol-1-ylbenzenecarboximidamide
PubChem CID62495659
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name2-chloro-6-imidazol-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1-n1ccnc1
InChIInChI=1S/C10H9ClN4/c11-7-2-1-3-8(9(7)10(12)13)15-5-4-14-6-15/h1-6H,(H3,12,13)
InChIKeyLPTZKYSWUGWUGU-UHFFFAOYSA-N
XLogP1.81
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-imidazol-1-ylbenzenecarboximidamide?
The IUPAC name of 2-chloro-6-imidazol-1-ylbenzenecarboximidamide (CID 62495659) is 2-chloro-6-imidazol-1-ylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-imidazol-1-ylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-imidazol-1-ylbenzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1-n1ccnc1.
What is the InChIKey of 2-chloro-6-imidazol-1-ylbenzenecarboximidamide?
The InChIKey is LPTZKYSWUGWUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c11-7-2-1-3-8(9(7)10(12)13)15-5-4-14-6-15/h1-6H,(H3,12,13).
What are the key properties of 2-chloro-6-imidazol-1-ylbenzenecarboximidamide?
2-chloro-6-imidazol-1-ylbenzenecarboximidamide has a molecular weight of 220.66 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-imidazol-1-ylbenzenecarboximidamide is sourced from PubChem (CID 62495659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).