1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one

C17H14N4OS — CID 18414229

IUPAC1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
SMILESCCn1ccc(-c2ccc3c(c2)ncn3-c2ccsc2)nc1=O
InChIInChI=1S/C17H14N4OS/c1-2-20-7-5-14(19-17(20)22)12-3-4-16-15(9-12)18-11-21(16)13-6-8-23-10-13/h3-11H,2H2,1H3
InChIKeyYEIVPPVNFUOCRJ-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.33
Rot. Bonds3

About 1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one

1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one (PubChem CID 18414229) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
PubChem CID18414229
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
SMILESCCn1ccc(-c2ccc3c(c2)ncn3-c2ccsc2)nc1=O
InChIInChI=1S/C17H14N4OS/c1-2-20-7-5-14(19-17(20)22)12-3-4-16-15(9-12)18-11-21(16)13-6-8-23-10-13/h3-11H,2H2,1H3
InChIKeyYEIVPPVNFUOCRJ-UHFFFAOYSA-N
XLogP3.33
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
CID 18414206
1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
CID 54028630
1-azabicyclo[3.1.0]hexane;1-ethyl-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyridin-2-one
CID 18414265
1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
CID 18414257
6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one
CID 57223334
4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one
CID 5329411
1-thiophen-3-ylbenzimidazol-5-amine
CID 66355194
4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine
CID 82497594
2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole
CID 116970087
ethyl 2-[4-(5-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetate
CID 118559113
2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline
CID 156575569
N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide
CID 126648413

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
The IUPAC name of 1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one (CID 18414229) is 1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one.
What is the SMILES notation for 1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
The canonical SMILES for 1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one is CCn1ccc(-c2ccc3c(c2)ncn3-c2ccsc2)nc1=O.
What is the InChIKey of 1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
The InChIKey is YEIVPPVNFUOCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-2-20-7-5-14(19-17(20)22)12-3-4-16-15(9-12)18-11-21(16)13-6-8-23-10-13/h3-11H,2H2,1H3.
What are the key properties of 1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one has a molecular weight of 322.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one is sourced from PubChem (CID 18414229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).