4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine

C18H10F2N4OS — CID 31257930

IUPAC4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine
SMILESFC(F)n1c(Sc2ncnc3c2oc2ccccc23)nc2ccccc21
InChIInChI=1S/C18H10F2N4OS/c19-17(20)24-12-7-3-2-6-11(12)23-18(24)26-16-15-14(21-9-22-16)10-5-1-4-8-13(10)25-15/h1-9,17H
InChIKeyVHBTWFGZRSDIDG-UHFFFAOYSA-N
MW368.37 g/mol
LogP5.27
Rot. Bonds3

About 4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine

4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 31257930) has the molecular formula C18H10F2N4OS and a molecular weight of 368.37 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID31257930
Molecular FormulaC18H10F2N4OS
Molecular Weight368.37 g/mol
Exact Mass368.05
IUPAC Name4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine
SMILESFC(F)n1c(Sc2ncnc3c2oc2ccccc23)nc2ccccc21
InChIInChI=1S/C18H10F2N4OS/c19-17(20)24-12-7-3-2-6-11(12)23-18(24)26-16-15-14(21-9-22-16)10-5-1-4-8-13(10)25-15/h1-9,17H
InChIKeyVHBTWFGZRSDIDG-UHFFFAOYSA-N
XLogP5.27
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 2877182
4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 39742965
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine
CID 24656795
4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 2458258
4-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 39772968
4-benzylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 3131853
4-(naphthalen-1-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 2158341
5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 133294077
4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine
CID 24671441
4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 156867518
4-(pyridin-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 17422663
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide
CID 8665174

Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine (CID 31257930) is 4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine is FC(F)n1c(Sc2ncnc3c2oc2ccccc23)nc2ccccc21.
What is the InChIKey of 4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is VHBTWFGZRSDIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N4OS/c19-17(20)24-12-7-3-2-6-11(12)23-18(24)26-16-15-14(21-9-22-16)10-5-1-4-8-13(10)25-15/h1-9,17H.
What are the key properties of 4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine?
4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 368.37 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 31257930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).