N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide

C17H17F3N4O2 — CID 47789031

IUPACN-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide
SMILESCn1ccnc1C(O)(CCNC(=O)c1cc2ccccc2[nH]1)C(F)(F)F
InChIInChI=1S/C17H17F3N4O2/c1-24-9-8-22-15(24)16(26,17(18,19)20)6-7-21-14(25)13-10-11-4-2-3-5-12(11)23-13/h2-5,8-10,23,26H,6-7H2,1H3,(H,21,25)
InChIKeyAFKGGMSYVKQTQZ-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.47
Rot. Bonds5

About N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide

N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide (PubChem CID 47789031) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide
PubChem CID47789031
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide
SMILESCn1ccnc1C(O)(CCNC(=O)c1cc2ccccc2[nH]1)C(F)(F)F
InChIInChI=1S/C17H17F3N4O2/c1-24-9-8-22-15(24)16(26,17(18,19)20)6-7-21-14(25)13-10-11-4-2-3-5-12(11)23-13/h2-5,8-10,23,26H,6-7H2,1H3,(H,21,25)
InChIKeyAFKGGMSYVKQTQZ-UHFFFAOYSA-N
XLogP2.47
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyridine-3-carboxamide
CID 94816534
3-[(2-phenylacetyl)amino]-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide
CID 49026626
2-amino-2-phenyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide
CID 120588171
tert-butyl N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]carbamate
CID 97072003
N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide
CID 110474026
3-(pyrimidin-2-ylamino)-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide
CID 52514874
1-(2-methylcyclopropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea
CID 110929835
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
1-(3-hydroxy-2-methylpropyl)-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea
CID 86830894
1,1,1-trifluoro-2-(1-methylimidazol-2-yl)-4-(quinoxalin-2-ylamino)butan-2-ol
CID 47059492
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 46513330
N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270

Frequently Asked Questions

What is the IUPAC name of N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide (CID 47789031) is N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide is Cn1ccnc1C(O)(CCNC(=O)c1cc2ccccc2[nH]1)C(F)(F)F.
What is the InChIKey of N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide?
The InChIKey is AFKGGMSYVKQTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-24-9-8-22-15(24)16(26,17(18,19)20)6-7-21-14(25)13-10-11-4-2-3-5-12(11)23-13/h2-5,8-10,23,26H,6-7H2,1H3,(H,21,25).
What are the key properties of N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide?
N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 47789031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).