1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole

C15H13ClN4O2 — CID 140903686

IUPAC1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole
SMILESClc1cnc(OC2CCOC2)nc1-n1cnc2ccccc21
InChIInChI=1S/C15H13ClN4O2/c16-11-7-17-15(22-10-5-6-21-8-10)19-14(11)20-9-18-12-3-1-2-4-13(12)20/h1-4,7,9-10H,5-6,8H2
InChIKeyTUFFFNJZOVOSEH-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.64
Rot. Bonds3

About 1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole

1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole (PubChem CID 140903686) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole.

Molecular Properties

Compound Name1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole
PubChem CID140903686
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole
SMILESClc1cnc(OC2CCOC2)nc1-n1cnc2ccccc21
InChIInChI=1S/C15H13ClN4O2/c16-11-7-17-15(22-10-5-6-21-8-10)19-14(11)20-9-18-12-3-1-2-4-13(12)20/h1-4,7,9-10H,5-6,8H2
InChIKeyTUFFFNJZOVOSEH-UHFFFAOYSA-N
XLogP2.64
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(oxolan-3-yloxy)quinazoline
CID 67362717
4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
CID 80853710
1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole
CID 114837450
2-(3-aminocyclobutyl)oxy-4-(benzimidazol-1-yl)pyrimidine-5-carbonitrile;1-[2-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxyethyl]pyrrolidin-2-one;1-(5-chloro-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole
CID 160773845
1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one
CID 140903642
2-[[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]amino]acetaldehyde
CID 146243949
N-(3-chloro-4-fluorophenyl)-6-(oxolan-3-yloxy)pyrimido[5,4-d]pyrimidin-4-amine
CID 18946137
2-(benzimidazol-1-yl)-4-N-[(3S,4S)-3-methyloxan-4-yl]pyrimidine-4,5-diamine
CID 66970494
5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine
CID 177179845
N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine
CID 83188779
4-(oxolan-3-yloxy)quinazolin-2-amine
CID 80876588
2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine
CID 130436955

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole?
The IUPAC name of 1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole (CID 140903686) is 1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole.
What is the SMILES notation for 1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole?
The canonical SMILES for 1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole is Clc1cnc(OC2CCOC2)nc1-n1cnc2ccccc21.
What is the InChIKey of 1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole?
The InChIKey is TUFFFNJZOVOSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c16-11-7-17-15(22-10-5-6-21-8-10)19-14(11)20-9-18-12-3-1-2-4-13(12)20/h1-4,7,9-10H,5-6,8H2.
What are the key properties of 1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole?
1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole has a molecular weight of 316.75 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole is sourced from PubChem (CID 140903686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).