3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride

C9H11Cl3N4 — CID 44523105

IUPAC3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
SMILESCC1CN=C(Nc2ncc(Cl)cc2Cl)N1.Cl
InChIInChI=1S/C9H10Cl2N4.ClH/c1-5-3-13-9(14-5)15-8-7(11)2-6(10)4-12-8;/h2,4-5H,3H2,1H3,(H2,12,13,14,15);1H
InChIKeyLNQSZSRIKIADQH-UHFFFAOYSA-N
MW281.57 g/mol
LogP2.57
Rot. Bonds1

About 3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride

3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride (PubChem CID 44523105) has the molecular formula C9H11Cl3N4 and a molecular weight of 281.57 g/mol. Its IUPAC name is 3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
PubChem CID44523105
Molecular FormulaC9H11Cl3N4
Molecular Weight281.57 g/mol
Exact Mass280.00
IUPAC Name3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
SMILESCC1CN=C(Nc2ncc(Cl)cc2Cl)N1.Cl
InChIInChI=1S/C9H10Cl2N4.ClH/c1-5-3-13-9(14-5)15-8-7(11)2-6(10)4-12-8;/h2,4-5H,3H2,1H3,(H2,12,13,14,15);1H
InChIKeyLNQSZSRIKIADQH-UHFFFAOYSA-N
XLogP2.57
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride?
The IUPAC name of 3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride (CID 44523105) is 3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride?
The canonical SMILES for 3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride is CC1CN=C(Nc2ncc(Cl)cc2Cl)N1.Cl.
What is the InChIKey of 3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride?
The InChIKey is LNQSZSRIKIADQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4.ClH/c1-5-3-13-9(14-5)15-8-7(11)2-6(10)4-12-8;/h2,4-5H,3H2,1H3,(H2,12,13,14,15);1H.
What are the key properties of 3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride?
3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride has a molecular weight of 281.57 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 44523105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).