3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide

C24H31F3N6O — CID 19570611

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide
SMILESCCN(CC)CCn1c(NC(=O)C(C)Cn2nc(C(F)(F)F)cc2C2CC2)nc2ccccc21
InChIInChI=1S/C24H31F3N6O/c1-4-31(5-2)12-13-32-19-9-7-6-8-18(19)28-23(32)29-22(34)16(3)15-33-20(17-10-11-17)14-21(30-33)24(25,26)27/h6-9,14,16-17H,4-5,10-13,15H2,1-3H3,(H,28,29,34)
InChIKeyGXXYQJOQGCURDO-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.75
Rot. Bonds10

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide (PubChem CID 19570611) has the molecular formula C24H31F3N6O and a molecular weight of 476.55 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide
PubChem CID19570611
Molecular FormulaC24H31F3N6O
Molecular Weight476.55 g/mol
Exact Mass476.25
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide
SMILESCCN(CC)CCn1c(NC(=O)C(C)Cn2nc(C(F)(F)F)cc2C2CC2)nc2ccccc21
InChIInChI=1S/C24H31F3N6O/c1-4-31(5-2)12-13-32-19-9-7-6-8-18(19)28-23(32)29-22(34)16(3)15-33-20(17-10-11-17)14-21(30-33)24(25,26)27/h6-9,14,16-17H,4-5,10-13,15H2,1-3H3,(H,28,29,34)
InChIKeyGXXYQJOQGCURDO-UHFFFAOYSA-N
XLogP4.75
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide (CID 19570611) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide is CCN(CC)CCn1c(NC(=O)C(C)Cn2nc(C(F)(F)F)cc2C2CC2)nc2ccccc21.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide?
The InChIKey is GXXYQJOQGCURDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N6O/c1-4-31(5-2)12-13-32-19-9-7-6-8-18(19)28-23(32)29-22(34)16(3)15-33-20(17-10-11-17)14-21(30-33)24(25,26)27/h6-9,14,16-17H,4-5,10-13,15H2,1-3H3,(H,28,29,34).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide has a molecular weight of 476.55 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 19570611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).