5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine

C13H16ClN3 — CID 53302977

IUPAC5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine
SMILESCC(C)CNc1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C13H16ClN3/c1-9(2)7-15-13-16-8-12(17-13)10-3-5-11(14)6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,15,16,17)
InChIKeyBGECHNMRJKBIBX-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.80
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine

5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine (PubChem CID 53302977) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine
PubChem CID53302977
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine
SMILESCC(C)CNc1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C13H16ClN3/c1-9(2)7-15-13-16-8-12(17-13)10-3-5-11(14)6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,15,16,17)
InChIKeyBGECHNMRJKBIBX-UHFFFAOYSA-N
XLogP3.80
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Phenylimidazole
CID 69590
4-(4-Chlorophenyl)Imidazole
CID 448632
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4-benzyl-1H-imidazole
CID 594090
4-(4-fluorophenyl)-1H-imidazole
CID 657876
2,4-Diphenylimidazole
CID 296732
4-Methyl-2-phenyl-1H-imidazole
CID 70012
1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine (CID 53302977) is 5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine is CC(C)CNc1ncc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine?
The InChIKey is BGECHNMRJKBIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9(2)7-15-13-16-8-12(17-13)10-3-5-11(14)6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine?
5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine has a molecular weight of 249.75 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-methylpropyl)-1H-imidazol-2-amine is sourced from PubChem (CID 53302977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).