6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole

C17H18ClFN4O — CID 138622320

IUPAC6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole
SMILESCC(C)Oc1nc2c(F)cc(-c3ccnc(Cl)n3)cc2n1C(C)C
InChIInChI=1S/C17H18ClFN4O/c1-9(2)23-14-8-11(13-5-6-20-16(18)21-13)7-12(19)15(14)22-17(23)24-10(3)4/h5-10H,1-4H3
InChIKeyFNVBWCINVUMVAG-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.65
Rot. Bonds4

About 6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole

6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole (PubChem CID 138622320) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole.

Molecular Properties

Compound Name6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole
PubChem CID138622320
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole
SMILESCC(C)Oc1nc2c(F)cc(-c3ccnc(Cl)n3)cc2n1C(C)C
InChIInChI=1S/C17H18ClFN4O/c1-9(2)23-14-8-11(13-5-6-20-16(18)21-13)7-12(19)15(14)22-17(23)24-10(3)4/h5-10H,1-4H3
InChIKeyFNVBWCINVUMVAG-UHFFFAOYSA-N
XLogP4.65
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole
CID 138622361
6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole;deuterio(fluoro)methane;bis(1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-3-propan-2-yl-2-propan-2-yloxybenzimidazol-5-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine);4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-3-propan-2-yl-2-propan-2-yloxybenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride
CID 160554914
6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
CID 122667380
1-[4-(2-chloropyrimidin-4-yl)-2-fluorophenyl]ethanone
CID 24901971
6-(2-chloropyrimidin-4-yl)-8-fluoro-2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine
CID 170144444
6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole
CID 138622341
2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
CID 42632600
4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole
CID 142373688
5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine
CID 171660900
[5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane
CID 145449277
2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine
CID 59588234
5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole
CID 175814014

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole?
The IUPAC name of 6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole (CID 138622320) is 6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole.
What is the SMILES notation for 6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole?
The canonical SMILES for 6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole is CC(C)Oc1nc2c(F)cc(-c3ccnc(Cl)n3)cc2n1C(C)C.
What is the InChIKey of 6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole?
The InChIKey is FNVBWCINVUMVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c1-9(2)23-14-8-11(13-5-6-20-16(18)21-13)7-12(19)15(14)22-17(23)24-10(3)4/h5-10H,1-4H3.
What are the key properties of 6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole?
6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole has a molecular weight of 348.81 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole is sourced from PubChem (CID 138622320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).