2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine

C19H13N7O — CID 56903232

IUPAC2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine
SMILESc1coc(-c2ncc(-c3nccn3-c3ccc(-n4cncn4)cc3)cn2)c1
InChIInChI=1S/C19H13N7O/c1-2-17(27-9-1)18-22-10-14(11-23-18)19-21-7-8-25(19)15-3-5-16(6-4-15)26-13-20-12-24-26/h1-13H
InChIKeyNKGRHMDSWNPKLV-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.17
Rot. Bonds4

About 2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine

2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine (PubChem CID 56903232) has the molecular formula C19H13N7O and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine
PubChem CID56903232
Molecular FormulaC19H13N7O
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC Name2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine
SMILESc1coc(-c2ncc(-c3nccn3-c3ccc(-n4cncn4)cc3)cn2)c1
InChIInChI=1S/C19H13N7O/c1-2-17(27-9-1)18-22-10-14(11-23-18)19-21-7-8-25(19)15-3-5-16(6-4-15)26-13-20-12-24-26/h1-13H
InChIKeyNKGRHMDSWNPKLV-UHFFFAOYSA-N
XLogP3.17
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole
CID 56899429
(1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 97333448
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidine-5-carboxamide
CID 55549884
4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 70707181
N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline
CID 62762707
3-[2-[2-(furan-2-yl)imidazol-1-yl]ethyl]pyridine
CID 156586954
1,4-bis[4-(1,2,4-triazol-1-yl)phenyl]piperazine
CID 141429794
[2-(furan-2-yl)pyrimidin-5-yl]hydrazine
CID 134693283
2-(furan-2-yl)pyrido[3,2-d]pyrimidine
CID 101478815
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55795833
N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 167965681

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine (CID 56903232) is 2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine is c1coc(-c2ncc(-c3nccn3-c3ccc(-n4cncn4)cc3)cn2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine?
The InChIKey is NKGRHMDSWNPKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7O/c1-2-17(27-9-1)18-22-10-14(11-23-18)19-21-7-8-25(19)15-3-5-16(6-4-15)26-13-20-12-24-26/h1-13H.
What are the key properties of 2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine?
2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine has a molecular weight of 355.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine is sourced from PubChem (CID 56903232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).