N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine

C10H12ClN3 — CID 10444583

IUPACN-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccc(Cl)cc1NC1=NCCN1
InChIInChI=1S/C10H12ClN3/c1-7-2-3-8(11)6-9(7)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)
InChIKeyLEIIKKPFFYYIKV-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.02
Rot. Bonds1

About N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine

N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 10444583) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID10444583
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC NameN-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccc(Cl)cc1NC1=NCCN1
InChIInChI=1S/C10H12ClN3/c1-7-2-3-8(11)6-9(7)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)
InChIKeyLEIIKKPFFYYIKV-UHFFFAOYSA-N
XLogP2.02
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 10444583) is N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine is Cc1ccc(Cl)cc1NC1=NCCN1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is LEIIKKPFFYYIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-7-2-3-8(11)6-9(7)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14).
What are the key properties of N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 209.68 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 10444583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).