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

C15H14ClFN4 — CID 122667380

IUPAC6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
SMILESCc1nc2c(F)cc(-c3cc(Cl)ncn3)cc2n1C(C)C
InChIInChI=1S/C15H14ClFN4/c1-8(2)21-9(3)20-15-11(17)4-10(5-13(15)21)12-6-14(16)19-7-18-12/h4-8H,1-3H3
InChIKeyYXRGCPPAEFPBGF-UHFFFAOYSA-N
MW304.76 g/mol
LogP4.18
Rot. Bonds2

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

6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole (PubChem CID 122667380) has the molecular formula C15H14ClFN4 and a molecular weight of 304.76 g/mol. Its IUPAC name is 6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
PubChem CID122667380
Molecular FormulaC15H14ClFN4
Molecular Weight304.76 g/mol
Exact Mass304.09
IUPAC Name6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
SMILESCc1nc2c(F)cc(-c3cc(Cl)ncn3)cc2n1C(C)C
InChIInChI=1S/C15H14ClFN4/c1-8(2)21-9(3)20-15-11(17)4-10(5-13(15)21)12-6-14(16)19-7-18-12/h4-8H,1-3H3
InChIKeyYXRGCPPAEFPBGF-UHFFFAOYSA-N
XLogP4.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[(2E,4Z)-4-chloro-5-[(4-ethylpiperazin-1-yl)methyl]-7-methylocta-2,4,6-trien-2-yl]-6-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-4-amine
CID 145178155
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine
CID 135162251
6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride
CID 177312133
4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole
CID 135162333
6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole
CID 138622361
(1S,3R,4R)-4-[[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]cyclohexane-1,3-diol
CID 171660559
6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole
CID 138622320
(3R)-3-[6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methylbenzimidazol-1-yl]butanoic acid
CID 166707171
5-chloro-N-[[(2S,5S)-5-ethyloxolan-2-yl]methyl]-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 171661447
4-[[[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]methyl]oxan-4-ol
CID 171660151

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole?
The IUPAC name of 6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole (CID 122667380) is 6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole?
The canonical SMILES for 6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole is Cc1nc2c(F)cc(-c3cc(Cl)ncn3)cc2n1C(C)C.
What is the InChIKey of 6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole?
The InChIKey is YXRGCPPAEFPBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4/c1-8(2)21-9(3)20-15-11(17)4-10(5-13(15)21)12-6-14(16)19-7-18-12/h4-8H,1-3H3.
What are the key properties of 6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole?
6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole has a molecular weight of 304.76 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 122667380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).