1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine

C9H11ClN4 — CID 10130527

IUPAC1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)
InChIKeyUEQZFAGVRGWPDK-UHFFFAOYSA-N
MW210.67 g/mol
LogP0.87
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine

1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 10130527) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
PubChem CID10130527
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)
InChIKeyUEQZFAGVRGWPDK-UHFFFAOYSA-N
XLogP0.87
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine (CID 10130527) is 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine is NC1=NCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is UEQZFAGVRGWPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12).
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine?
1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 210.67 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 10130527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).