4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole

C16H16F2N4 — CID 142373688

IUPAC4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole
SMILESCc1ncc(F)c(-c2cc(F)c3nc(C)n(C(C)C)c3c2)n1
InChIInChI=1S/C16H16F2N4/c1-8(2)22-10(4)21-16-12(17)5-11(6-14(16)22)15-13(18)7-19-9(3)20-15/h5-8H,1-4H3
InChIKeyCQXAFCYGVXKNFA-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.97
Rot. Bonds2

About 4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole

4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole (PubChem CID 142373688) has the molecular formula C16H16F2N4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole
PubChem CID142373688
Molecular FormulaC16H16F2N4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole
SMILESCc1ncc(F)c(-c2cc(F)c3nc(C)n(C(C)C)c3c2)n1
InChIInChI=1S/C16H16F2N4/c1-8(2)22-10(4)21-16-12(17)5-11(6-14(16)22)15-13(18)7-19-9(3)20-15/h5-8H,1-4H3
InChIKeyCQXAFCYGVXKNFA-UHFFFAOYSA-N
XLogP3.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine
CID 135162251
6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
CID 122667380
1-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyrimidin-5-yl]azetidin-3-ol
CID 118700833
1-[[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyrimidin-5-yl]methyl]azetidin-3-ol
CID 118700824
(3R)-3-[6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methylbenzimidazol-1-yl]butanoic acid
CID 166707171
5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine
CID 171660900
2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide
CID 149494900
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-pyrrolidin-1-ylethyl]-2-pyridinyl]pyrimidin-2-amine
CID 146604087
N-[5-[(4-deuteriopiperidin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 175880453
[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyrimidin-5-yl]-piperazin-1-ylmethanone
CID 118700827
(3R,4S)-4-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-1,3-dimethylpiperidin-3-ol
CID 155277191
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(piperidin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
CID 145006854

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole?
The IUPAC name of 4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole (CID 142373688) is 4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole?
The canonical SMILES for 4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole is Cc1ncc(F)c(-c2cc(F)c3nc(C)n(C(C)C)c3c2)n1.
What is the InChIKey of 4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole?
The InChIKey is CQXAFCYGVXKNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4/c1-8(2)22-10(4)21-16-12(17)5-11(6-14(16)22)15-13(18)7-19-9(3)20-15/h5-8H,1-4H3.
What are the key properties of 4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole?
4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole has a molecular weight of 302.33 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 142373688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).