N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine

C13H16ClN3 — CID 106570097

IUPACN-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NCc1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-2-7-17-8-6-15-13(17)16-10-11-4-3-5-12(14)9-11/h3-6,8-9H,2,7,10H2,1H3,(H,15,16)
InChIKeyOVZBPKQIIGLIHN-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.56
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine

N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine (PubChem CID 106570097) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
PubChem CID106570097
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NCc1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-2-7-17-8-6-15-13(17)16-10-11-4-3-5-12(14)9-11/h3-6,8-9H,2,7,10H2,1H3,(H,15,16)
InChIKeyOVZBPKQIIGLIHN-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
CID 62928989
1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine
CID 106570141
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
1-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563271
N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62539605
1-(3-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751530
N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine
CID 106559103
1-propyl-N-(quinolin-8-ylmethyl)imidazol-2-amine
CID 106577425
1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106570134
3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62940904
N-hexyl-1-propylimidazol-2-amine
CID 106573792
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine (CID 106570097) is N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine is CCCn1ccnc1NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine?
The InChIKey is OVZBPKQIIGLIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-7-17-8-6-15-13(17)16-10-11-4-3-5-12(14)9-11/h3-6,8-9H,2,7,10H2,1H3,(H,15,16).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine?
N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine has a molecular weight of 249.75 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine is sourced from PubChem (CID 106570097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).