1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine

C12H14ClN3 — CID 43649836

IUPAC1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
SMILESCc1[nH]c(C(C)N)nc1-c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-7(14)12-15-8(2)11(16-12)9-4-3-5-10(13)6-9/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyWGYQAUHMAHUVOR-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.06
Rot. Bonds2

About 1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine

1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine (PubChem CID 43649836) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
PubChem CID43649836
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
SMILESCc1[nH]c(C(C)N)nc1-c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-7(14)12-15-8(2)11(16-12)9-4-3-5-10(13)6-9/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyWGYQAUHMAHUVOR-UHFFFAOYSA-N
XLogP3.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233339
2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
CID 65233463
3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine
CID 79813477
4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole
CID 141255860
3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 46167948
4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 82106721
1-[4-(3-chlorophenyl)phenyl]ethanamine
CID 43826632
5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 79441182
1-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 105497241
1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine
CID 105423393
2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole
CID 23103031
(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 66734805

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine (CID 43649836) is 1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine is Cc1[nH]c(C(C)N)nc1-c1cccc(Cl)c1.
What is the InChIKey of 1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
The InChIKey is WGYQAUHMAHUVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-7(14)12-15-8(2)11(16-12)9-4-3-5-10(13)6-9/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of 1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine has a molecular weight of 235.72 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 43649836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).