4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole

C9H11F3N2 — CID 158252166

IUPAC4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C(F)(F)F)nc1CC1CC1
InChIInChI=1S/C9H11F3N2/c1-5-7(4-6-2-3-6)14-8(13-5)9(10,11)12/h6H,2-4H2,1H3,(H,13,14)
InChIKeyGGVRSBWLOXNNTA-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.69
Rot. Bonds2

About 4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole

4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole (PubChem CID 158252166) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole
PubChem CID158252166
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C(F)(F)F)nc1CC1CC1
InChIInChI=1S/C9H11F3N2/c1-5-7(4-6-2-3-6)14-8(13-5)9(10,11)12/h6H,2-4H2,1H3,(H,13,14)
InChIKeyGGVRSBWLOXNNTA-UHFFFAOYSA-N
XLogP2.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole (CID 158252166) is 4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole is Cc1[nH]c(C(F)(F)F)nc1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is GGVRSBWLOXNNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-5-7(4-6-2-3-6)14-8(13-5)9(10,11)12/h6H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole?
4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 204.19 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 158252166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).