[3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid

C16H25ClF3N3O3 — CID 68834949

IUPAC[3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid
SMILESCCCCc1nc(Cl)c(CO)n1CC1CCC(N)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H24ClN3O.C2HF3O2/c1-2-3-4-13-17-14(15)12(9-19)18(13)8-10-5-6-11(16)7-10;3-2(4,5)1(6)7/h10-11,19H,2-9,16H2,1H3;(H,6,7)
InChIKeyJCHKOCXNRPPLPN-UHFFFAOYSA-N
MW399.84 g/mol
LogP3.13
Rot. Bonds6

About [3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid

[3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid (PubChem CID 68834949) has the molecular formula C16H25ClF3N3O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is [3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid
PubChem CID68834949
Molecular FormulaC16H25ClF3N3O3
Molecular Weight399.84 g/mol
Exact Mass399.15
IUPAC Name[3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid
SMILESCCCCc1nc(Cl)c(CO)n1CC1CCC(N)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H24ClN3O.C2HF3O2/c1-2-3-4-13-17-14(15)12(9-19)18(13)8-10-5-6-11(16)7-10;3-2(4,5)1(6)7/h10-11,19H,2-9,16H2,1H3;(H,6,7)
InChIKeyJCHKOCXNRPPLPN-UHFFFAOYSA-N
XLogP3.13
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of [3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid (CID 68834949) is [3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for [3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid is CCCCc1nc(Cl)c(CO)n1CC1CCC(N)C1.O=C(O)C(F)(F)F.
What is the InChIKey of [3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid?
The InChIKey is JCHKOCXNRPPLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O.C2HF3O2/c1-2-3-4-13-17-14(15)12(9-19)18(13)8-10-5-6-11(16)7-10;3-2(4,5)1(6)7/h10-11,19H,2-9,16H2,1H3;(H,6,7).
What are the key properties of [3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid?
[3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid has a molecular weight of 399.84 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-aminocyclopentyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68834949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).