N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide

C11H10F3N3O — CID 941633

IUPACN-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1=NCCN1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)7-1-3-8(4-2-7)17-10(18)9-15-5-6-16-9/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChIKeyYXSGZIFIOISJKM-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.65
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide

N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 941633) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID941633
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC NameN-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1=NCCN1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)7-1-3-8(4-2-7)17-10(18)9-15-5-6-16-9/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChIKeyYXSGZIFIOISJKM-UHFFFAOYSA-N
XLogP1.65
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 6324103
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(4,5-Dihydro-1H-imidazol-2-ylmethyl)-p-tolyl-amine
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N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
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N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]acetamide
CID 44269162
2-(ethylamino)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 2410077
(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[4-(trifluoromethyl)phenyl]urea
CID 12448972
(5S)-2-(4-acetamidophenyl)-N-hexadecyl-4,5-dihydro-1H-imidazole-5-carboxamide
CID 44586636
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide
CID 127037565
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
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CID 718637

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 941633) is N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1=NCCN1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is YXSGZIFIOISJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)7-1-3-8(4-2-7)17-10(18)9-15-5-6-16-9/h1-4H,5-6H2,(H,15,16)(H,17,18).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 257.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 941633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).