N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C12H17ClF3N3 — CID 106210296

IUPACN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCCCc1nc(Cl)c(CNC2(C(F)(F)F)CC2)[nH]1
InChIInChI=1S/C12H17ClF3N3/c1-2-3-4-9-18-8(10(13)19-9)7-17-11(5-6-11)12(14,15)16/h17H,2-7H2,1H3,(H,18,19)
InChIKeyOJVRWCWBUBASGU-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.59
Rot. Bonds6

About N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210296) has the molecular formula C12H17ClF3N3 and a molecular weight of 295.74 g/mol. Its IUPAC name is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210296
Molecular FormulaC12H17ClF3N3
Molecular Weight295.74 g/mol
Exact Mass295.11
IUPAC NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCCCc1nc(Cl)c(CNC2(C(F)(F)F)CC2)[nH]1
InChIInChI=1S/C12H17ClF3N3/c1-2-3-4-9-18-8(10(13)19-9)7-17-11(5-6-11)12(14,15)16/h17H,2-7H2,1H3,(H,18,19)
InChIKeyOJVRWCWBUBASGU-UHFFFAOYSA-N
XLogP3.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210296) is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is CCCCc1nc(Cl)c(CNC2(C(F)(F)F)CC2)[nH]1.
What is the InChIKey of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is OJVRWCWBUBASGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N3/c1-2-3-4-9-18-8(10(13)19-9)7-17-11(5-6-11)12(14,15)16/h17H,2-7H2,1H3,(H,18,19).
What are the key properties of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 295.74 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).