2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

C14H17F3N4 — CID 102811556

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCCc1nn(C)cc1-c1nc2c([nH]1)CC(C(F)(F)F)CC2
InChIInChI=1S/C14H17F3N4/c1-3-10-9(7-21(2)20-10)13-18-11-5-4-8(14(15,16)17)6-12(11)19-13/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyNITYUPNHRZNCQL-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.04
Rot. Bonds2

About 2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 102811556) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID102811556
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCCc1nn(C)cc1-c1nc2c([nH]1)CC(C(F)(F)F)CC2
InChIInChI=1S/C14H17F3N4/c1-3-10-9(7-21(2)20-10)13-18-11-5-4-8(14(15,16)17)6-12(11)19-13/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyNITYUPNHRZNCQL-UHFFFAOYSA-N
XLogP3.04
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 114827273
2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136920201
2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136920223
2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 112670983
2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
CID 13327727
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102810405
4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
CID 112670204
3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 70791517
3-(3-ethyl-1-methylpyrazol-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 102810804
5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 112671013
5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 167864904
N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115923170

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole (CID 102811556) is 2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole is CCc1nn(C)cc1-c1nc2c([nH]1)CC(C(F)(F)F)CC2.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is NITYUPNHRZNCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-3-10-9(7-21(2)20-10)13-18-11-5-4-8(14(15,16)17)6-12(11)19-13/h7-8H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 298.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 102811556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).