4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine

C14H26ClN3 — CID 70337934

IUPAC4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine
SMILESCCCCc1nc(Cl)c(C(C)(C)CC(C)(C)N)[nH]1
InChIInChI=1S/C14H26ClN3/c1-6-7-8-10-17-11(12(15)18-10)13(2,3)9-14(4,5)16/h6-9,16H2,1-5H3,(H,17,18)
InChIKeyDXYAZWRPUUHLKC-UHFFFAOYSA-N
MW271.84 g/mol
LogP3.81
Rot. Bonds6

About 4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine

4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine (PubChem CID 70337934) has the molecular formula C14H26ClN3 and a molecular weight of 271.84 g/mol. Its IUPAC name is 4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine
PubChem CID70337934
Molecular FormulaC14H26ClN3
Molecular Weight271.84 g/mol
Exact Mass271.18
IUPAC Name4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine
SMILESCCCCc1nc(Cl)c(C(C)(C)CC(C)(C)N)[nH]1
InChIInChI=1S/C14H26ClN3/c1-6-7-8-10-17-11(12(15)18-10)13(2,3)9-14(4,5)16/h6-9,16H2,1-5H3,(H,17,18)
InChIKeyDXYAZWRPUUHLKC-UHFFFAOYSA-N
XLogP3.81
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.84
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine?
The IUPAC name of 4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine (CID 70337934) is 4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine?
The canonical SMILES for 4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine is CCCCc1nc(Cl)c(C(C)(C)CC(C)(C)N)[nH]1.
What is the InChIKey of 4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine?
The InChIKey is DXYAZWRPUUHLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3/c1-6-7-8-10-17-11(12(15)18-10)13(2,3)9-14(4,5)16/h6-9,16H2,1-5H3,(H,17,18).
What are the key properties of 4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine?
4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine has a molecular weight of 271.84 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butyl-4-chloro-1H-imidazol-5-yl)-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 70337934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).