6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine

C19H15ClFN5O — CID 90177851

IUPAC6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(Cl)nc(-n3c(C)nc4ccc(F)cc43)n2)cc1
InChIInChI=1S/C19H15ClFN5O/c1-11-22-15-8-3-12(21)9-16(15)26(11)19-24-17(20)10-18(25-19)23-13-4-6-14(27-2)7-5-13/h3-10H,1-2H3,(H,23,24,25)
InChIKeyZLCGNVVSTNGOGA-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.67
Rot. Bonds4

About 6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine

6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 90177851) has the molecular formula C19H15ClFN5O and a molecular weight of 383.81 g/mol. Its IUPAC name is 6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
PubChem CID90177851
Molecular FormulaC19H15ClFN5O
Molecular Weight383.81 g/mol
Exact Mass383.09
IUPAC Name6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(Cl)nc(-n3c(C)nc4ccc(F)cc43)n2)cc1
InChIInChI=1S/C19H15ClFN5O/c1-11-22-15-8-3-12(21)9-16(15)26(11)19-24-17(20)10-18(25-19)23-13-4-6-14(27-2)7-5-13/h3-10H,1-2H3,(H,23,24,25)
InChIKeyZLCGNVVSTNGOGA-UHFFFAOYSA-N
XLogP4.67
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine (CID 90177851) is 6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine is COc1ccc(Nc2cc(Cl)nc(-n3c(C)nc4ccc(F)cc43)n2)cc1.
What is the InChIKey of 6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is ZLCGNVVSTNGOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O/c1-11-22-15-8-3-12(21)9-16(15)26(11)19-24-17(20)10-18(25-19)23-13-4-6-14(27-2)7-5-13/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of 6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine?
6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 383.81 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 90177851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).