1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol

C14H15ClN4O — CID 175705490

IUPAC1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol
SMILESCC(C)N1CN(c2ccnc(Cl)n2)c2ccc(O)cc21
InChIInChI=1S/C14H15ClN4O/c1-9(2)18-8-19(13-5-6-16-14(15)17-13)11-4-3-10(20)7-12(11)18/h3-7,9,20H,8H2,1-2H3
InChIKeyHSWXHYPBBHWZCG-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.16
Rot. Bonds2

About 1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol

1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol (PubChem CID 175705490) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol
PubChem CID175705490
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol
SMILESCC(C)N1CN(c2ccnc(Cl)n2)c2ccc(O)cc21
InChIInChI=1S/C14H15ClN4O/c1-9(2)18-8-19(13-5-6-16-14(15)17-13)11-4-3-10(20)7-12(11)18/h3-7,9,20H,8H2,1-2H3
InChIKeyHSWXHYPBBHWZCG-UHFFFAOYSA-N
XLogP3.16
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one
CID 132608317
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one
CID 130469670
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387
1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]
CID 167100384
1-propan-2-yl-2,3-dihydroindol-6-ol
CID 84732134
(1R)-1-(2-chloropyrimidin-4-yl)ethanol
CID 124566529
2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine
CID 141444822
3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide
CID 158567085
5-hydroxy-1-propan-2-yl-2,3-dihydroindole-3-carbaldehyde
CID 117202551
2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
CID 62342852
tert-butyl 3-(2-chloropyrimidin-4-yl)-2-oxoimidazolidine-1-carboxylate
CID 138595647

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol (CID 175705490) is 1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol is CC(C)N1CN(c2ccnc(Cl)n2)c2ccc(O)cc21.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol?
The InChIKey is HSWXHYPBBHWZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-9(2)18-8-19(13-5-6-16-14(15)17-13)11-4-3-10(20)7-12(11)18/h3-7,9,20H,8H2,1-2H3.
What are the key properties of 1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol?
1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol has a molecular weight of 290.75 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol is sourced from PubChem (CID 175705490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).