3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine

C16H21Cl2N3 — CID 63468374

IUPAC3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine
SMILESCCCCn1c(C(C)C)nc(-c2cc(Cl)cc(Cl)c2)c1N
InChIInChI=1S/C16H21Cl2N3/c1-4-5-6-21-15(19)14(20-16(21)10(2)3)11-7-12(17)9-13(18)8-11/h7-10H,4-6,19H2,1-3H3
InChIKeyAKBVQFQSEAIFLL-UHFFFAOYSA-N
MW326.27 g/mol
LogP5.36
Rot. Bonds5

About 3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine

3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine (PubChem CID 63468374) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine
PubChem CID63468374
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC Name3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine
SMILESCCCCn1c(C(C)C)nc(-c2cc(Cl)cc(Cl)c2)c1N
InChIInChI=1S/C16H21Cl2N3/c1-4-5-6-21-15(19)14(20-16(21)10(2)3)11-7-12(17)9-13(18)8-11/h7-10H,4-6,19H2,1-3H3
InChIKeyAKBVQFQSEAIFLL-UHFFFAOYSA-N
XLogP5.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.27
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine
CID 63469463
5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine
CID 63469461
5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine
CID 66480273
4-(5-amino-1-butyl-2-propan-2-ylimidazol-4-yl)benzonitrile
CID 62220346
3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine
CID 62220345
3-butyl-5-(2,4-difluorophenyl)-2-propan-2-ylimidazol-4-amine
CID 62220167
5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 63469456
5-(3,5-difluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 106531922
5-(3,5-dichlorophenyl)-2,3-diethylimidazol-4-amine
CID 62226580
3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine
CID 63467991
5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
CID 62219998
5-(1-ethylpyrazol-4-yl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 103570396

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine (CID 63468374) is 3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine is CCCCn1c(C(C)C)nc(-c2cc(Cl)cc(Cl)c2)c1N.
What is the InChIKey of 3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine?
The InChIKey is AKBVQFQSEAIFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-4-5-6-21-15(19)14(20-16(21)10(2)3)11-7-12(17)9-13(18)8-11/h7-10H,4-6,19H2,1-3H3.
What are the key properties of 3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine?
3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine has a molecular weight of 326.27 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 63468374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).