5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one

C19H12FN5OS — CID 9332987

IUPAC5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(Nc3ncnc4scc(-c5ccc(F)cc5)c34)cc2[nH]1
InChIInChI=1S/C19H12FN5OS/c20-11-3-1-10(2-4-11)13-8-27-18-16(13)17(21-9-22-18)23-12-5-6-14-15(7-12)25-19(26)24-14/h1-9H,(H,21,22,23)(H2,24,25,26)
InChIKeyKGUCLEPFBCQFDM-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.41
Rot. Bonds3

About 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one

5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 9332987) has the molecular formula C19H12FN5OS and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID9332987
Molecular FormulaC19H12FN5OS
Molecular Weight377.40 g/mol
Exact Mass377.07
IUPAC Name5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(Nc3ncnc4scc(-c5ccc(F)cc5)c34)cc2[nH]1
InChIInChI=1S/C19H12FN5OS/c20-11-3-1-10(2-4-11)13-8-27-18-16(13)17(21-9-22-18)23-12-5-6-14-15(7-12)25-19(26)24-14/h1-9H,(H,21,22,23)(H2,24,25,26)
InChIKeyKGUCLEPFBCQFDM-UHFFFAOYSA-N
XLogP4.41
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one with MolForge

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Related Compounds

N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010573
[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]arsonic acid
CID 112501307
5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7673774
2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid
CID 21009469
dimethyl 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 21009153
methyl 3-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 20997970
5-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21011948
N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7574829
5-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010769
5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 1194680
N-(3-fluoro-4-nitrophenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110499142
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one (CID 9332987) is 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(Nc3ncnc4scc(-c5ccc(F)cc5)c34)cc2[nH]1.
What is the InChIKey of 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KGUCLEPFBCQFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5OS/c20-11-3-1-10(2-4-11)13-8-27-18-16(13)17(21-9-22-18)23-12-5-6-14-15(7-12)25-19(26)24-14/h1-9H,(H,21,22,23)(H2,24,25,26).
What are the key properties of 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one?
5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 377.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 9332987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).