4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

C17H13F3N4O — CID 51361096

IUPAC4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)16-23-13(12-6-2-1-3-7-12)14(24-16)15(25)22-10-11-5-4-8-21-9-11/h1-9H,10H2,(H,22,25)(H,23,24)
InChIKeyHRRCRZYJRSGATF-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.42
Rot. Bonds4

About 4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 51361096) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID51361096
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)16-23-13(12-6-2-1-3-7-12)14(24-16)15(25)22-10-11-5-4-8-21-9-11/h1-9H,10H2,(H,22,25)(H,23,24)
InChIKeyHRRCRZYJRSGATF-UHFFFAOYSA-N
XLogP3.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Difluoromethyl)-5-{[(2-Methylpropanoyl)amino]methyl}-N-{5-Methyl-4-[4-(Trifluoromethyl)phenyl]-1h-Imidazol-2-Yl}pyridine-3-Carboxamide
CID 71059525
Ins018_055
CID 164938183
KF 17625
CID 126487
6-cyclopropyl-N-[3,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548325
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8i
CID 6539313
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850
2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23582519
5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
CID 24809764
4-Pyrimidinecarboxamide,2-amino-6-phenyl-n-(2-pyridinylmethyl)-
CID 44520942
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid [4-(3,3-difluoro-pyrrolidine-1-carbonyl)-pyridin-3-yl]-amide
CID 54760567
6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548166

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 51361096) is 4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is O=C(NCc1cccnc1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of 4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is HRRCRZYJRSGATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-17(19,20)16-23-13(12-6-2-1-3-7-12)14(24-16)15(25)22-10-11-5-4-8-21-9-11/h1-9H,10H2,(H,22,25)(H,23,24).
What are the key properties of 4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 51361096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).