N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine

C12H14ClN3 — CID 106566722

IUPACN-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine
SMILESCc1cnc(NC(C)c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C12H14ClN3/c1-8-7-14-12(15-8)16-9(2)10-4-3-5-11(13)6-10/h3-7,9H,1-2H3,(H2,14,15,16)
InChIKeyHBDHKYPFHNVJRL-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.54
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine

N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine (PubChem CID 106566722) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine
PubChem CID106566722
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine
SMILESCc1cnc(NC(C)c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C12H14ClN3/c1-8-7-14-12(15-8)16-9(2)10-4-3-5-11(13)6-10/h3-7,9H,1-2H3,(H2,14,15,16)
InChIKeyHBDHKYPFHNVJRL-UHFFFAOYSA-N
XLogP3.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine (CID 106566722) is N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine is Cc1cnc(NC(C)c2cccc(Cl)c2)[nH]1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine?
The InChIKey is HBDHKYPFHNVJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-7-14-12(15-8)16-9(2)10-4-3-5-11(13)6-10/h3-7,9H,1-2H3,(H2,14,15,16).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine?
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine has a molecular weight of 235.72 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 106566722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).