3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol

C11H9ClN4O — CID 166764047

IUPAC3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol
SMILESOC1Nc2ccccc2N1c1ccnc(Cl)n1
InChIInChI=1S/C11H9ClN4O/c12-10-13-6-5-9(15-10)16-8-4-2-1-3-7(8)14-11(16)17/h1-6,11,14,17H
InChIKeyOOUQDMGZTWJHLD-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.97
Rot. Bonds1

About 3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol

3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol (PubChem CID 166764047) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol.

Molecular Properties

Compound Name3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol
PubChem CID166764047
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol
SMILESOC1Nc2ccccc2N1c1ccnc(Cl)n1
InChIInChI=1S/C11H9ClN4O/c12-10-13-6-5-9(15-10)16-8-4-2-1-3-7(8)14-11(16)17/h1-6,11,14,17H
InChIKeyOOUQDMGZTWJHLD-UHFFFAOYSA-N
XLogP1.97
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole
CID 155675906
(2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol
CID 95654617
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 60673897
2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
CID 62342852
2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine
CID 142745770
3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one
CID 123414615
2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine
CID 22288415
1-(2-chloropyrimidin-4-yl)indazole
CID 62343876
(2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole
CID 138747083
[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
CID 94405708
(3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol
CID 131002548

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol?
The IUPAC name of 3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol (CID 166764047) is 3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol.
What is the SMILES notation for 3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol?
The canonical SMILES for 3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol is OC1Nc2ccccc2N1c1ccnc(Cl)n1.
What is the InChIKey of 3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol?
The InChIKey is OOUQDMGZTWJHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-10-13-6-5-9(15-10)16-8-4-2-1-3-7(8)14-11(16)17/h1-6,11,14,17H.
What are the key properties of 3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol?
3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol has a molecular weight of 248.67 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol is sourced from PubChem (CID 166764047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).